data_1faf_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 1faf _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.742 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.167 0 CA-C-O 121.379 0.609 . . . . 0.0 112.251 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 p -90.19 -172.88 3.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.495 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.9 mtt-85 -58.79 -40.88 85.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 110.661 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.14 -39.22 94.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.709 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.742 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 48.1 m-20 -75.83 -52.94 9.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.748 -0.206 . . . . 0.0 111.221 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -60.4 -34.51 74.04 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.009 0.433 . . . . 0.0 110.42 179.728 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.463 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 7.4 tp10 -67.72 -34.19 76.36 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.991 179.041 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.2 tpt180 -65.33 -32.81 74.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.911 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.1 tp -65.71 -33.86 76.84 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.917 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.443 ' HG ' ' CZ3' ' A' ' 24' ' ' TRP . 11.4 mt -69.98 -41.37 74.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.318 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.29 -41.35 79.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.087 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.2 mt -79.05 -18.41 53.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.295 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.478 ' HA ' ' HG3' ' A' ' 37' ' ' GLN . 6.9 mp -88.5 -4.33 58.63 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 54.25 19.26 2.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.31 0.576 . . . . 0.0 110.077 -178.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.503 ' CD1' HD23 ' A' ' 23' ' ' LEU . 3.5 tt -109.86 110.35 59.12 Favored Pre-proline 0 N--CA 1.45 -0.44 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.939 -179.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.528 ' O ' HD13 ' A' ' 23' ' ' LEU . 81.7 Cg_exo -46.83 167.21 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.694 2.262 . . . . 0.0 113.29 -178.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.43 -3.8 57.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.246 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -79.13 -31.4 44.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.993 0.425 . . . . 0.0 111.121 -179.146 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.528 HD13 ' O ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -101.43 10.05 40.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.265 179.786 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.443 ' CZ3' ' HG ' ' A' ' 14' ' ' LEU . 36.2 t-105 -55.69 108.31 0.43 Allowed 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.188 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 148.85 -29.71 1.26 Allowed Glycine 0 C--N 1.333 0.362 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.744 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.412 ' O ' ' HG2' ' A' ' 30' ' ' MET . 19.5 t0 -78.74 92.67 4.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.71 0.29 . . . . 0.0 111.179 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.441 ' HA ' ' CG ' ' A' ' 30' ' ' MET . 7.7 t80 -43.94 -43.31 6.45 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.686 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.447 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -57.86 -42.54 94.7 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.858 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -71.5 -52.87 16.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.647 0.26 . . . . 0.0 111.672 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.441 ' CG ' ' HA ' ' A' ' 27' ' ' PHE . 13.9 ptp -56.69 -47.23 80.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.505 -179.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.431 ' NE2' ' CZ ' ' A' ' 27' ' ' PHE . 18.1 tt0 -63.0 -35.92 81.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.895 0.379 . . . . 0.0 110.244 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.447 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.8 OUTLIER -63.91 -37.13 86.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.811 179.03 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.459 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -79.43 -29.31 41.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.053 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.432 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 9.8 t80 -69.04 -41.07 78.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.686 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.14 -52.63 46.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.971 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.456 ' HG2' ' HA ' ' A' ' 33' ' ' ALA . 1.3 pt20 -59.59 -29.76 68.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.723 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.478 ' HG3' ' HA ' ' A' ' 17' ' ' LEU . 95.8 mm-40 -86.62 -23.66 25.62 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.956 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.407 ' OG ' ' CE1' ' A' ' 34' ' ' TYR . 1.7 m -77.49 -30.78 53.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.669 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.499 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 5.7 mt -77.77 -24.82 48.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.468 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.452 HD22 ' HA ' ' A' ' 37' ' ' GLN . 4.3 pp -89.98 -18.94 25.09 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.949 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.6 mt -94.77 -3.56 48.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.819 0.343 . . . . 0.0 110.782 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -66.62 134.65 94.35 Favored Pre-proline 0 N--CA 1.455 -0.184 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.858 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_exo -43.89 -48.81 8.81 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.928 2.419 . . . . 0.0 113.364 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.42 -12.79 55.73 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.749 0.278 . . . . 0.0 111.749 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.499 ' HG3' ' O ' ' A' ' 39' ' ' LEU . 5.8 mmtp -112.5 30.93 6.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.37 . . . . 0.0 111.064 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 62.39 90.29 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.61 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -169.74 165.24 38.64 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.425 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.95 154.07 20.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.897 0.38 . . . . 0.0 110.688 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -82.69 -40.51 20.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.71 -21.1 54.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.39 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.7 mp -83.95 -51.59 7.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.165 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -31.25 69.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.508 -179.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -77.15 -32.71 56.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.867 0.365 . . . . 0.0 111.142 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.53 -36.8 68.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.938 0.399 . . . . 0.0 110.348 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.432 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 6.1 tp -71.08 -43.25 68.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.533 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -60.84 -31.13 70.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.705 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.5 p -81.55 -45.22 16.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.798 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.481 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 2.8 mt -65.13 -27.74 68.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.527 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 61.9 t-105 -90.63 -27.12 19.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.183 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.9 -63.89 3.28 Favored Glycine 0 C--N 1.333 0.401 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.148 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.535 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -51.9 -49.49 62.92 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 179.084 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.535 ' N ' ' CG2' ' A' ' 61' ' ' THR . 3.1 t80 -44.03 -52.16 7.28 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 113.418 -1.719 . . . . 0.0 109.138 177.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.576 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 0.3 OUTLIER -58.68 -37.76 76.75 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.003 -1.453 . . . . 0.0 110.841 179.397 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.46 ' HB ' ' O ' ' A' ' 61' ' ' THR . 54.7 m -49.06 -37.81 22.17 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 109.487 -0.561 . . . . 0.0 109.487 179.083 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -85.12 -30.92 23.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.504 178.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.576 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 74.1 t . . . . . 0 N--CA 1.455 -0.183 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.717 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.789 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.115 0.483 . . . . 0.0 111.558 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.6 p -90.33 -170.32 2.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.933 -178.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.422 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -62.49 -29.43 70.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.899 179.645 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.414 ' N ' ' HG2' ' A' ' 7' ' ' ARG . . . -76.54 -32.64 58.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.282 -179.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.789 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 2.9 m-20 -89.77 -47.0 8.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.816 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.495 ' HD3' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -59.91 -28.46 67.6 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.839 0.352 . . . . 0.0 110.756 179.717 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 12' ' ' ARG . 3.2 pt-20 -69.76 -31.4 69.34 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.438 ' N ' ' HG3' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -60.75 -39.42 88.63 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.528 178.887 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.43 ' CD1' ' HB2' ' A' ' 59' ' ' TRP . 4.9 tp -65.12 -35.56 81.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.009 179.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.46 ' HG ' ' CZ3' ' A' ' 24' ' ' TRP . 10.6 mt -66.87 -40.78 87.95 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.982 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -56.03 -52.67 63.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.5 mt -72.36 -12.45 61.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.994 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.444 HD23 ' N ' ' A' ' 17' ' ' LEU . 1.4 mm? -90.45 -10.45 43.68 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 mptt 52.8 20.32 1.56 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.201 0.524 . . . . 0.0 110.263 -178.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.483 ' CD1' HD22 ' A' ' 23' ' ' LEU . 4.9 tt -109.93 112.14 58.13 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.999 -179.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.512 ' O ' HD13 ' A' ' 23' ' ' LEU . 82.8 Cg_exo -46.06 167.03 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.701 2.267 . . . . 0.0 113.396 -178.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -90.25 -2.51 58.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.313 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.72 -24.55 31.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.733 -178.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.512 HD13 ' O ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -108.79 10.47 26.65 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.823 179.308 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.495 ' CZ2' ' HD3' ' A' ' 10' ' ' LYS . 44.1 t-105 -56.05 97.58 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.847 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 160.08 -28.88 0.35 Allowed Glycine 0 CA--C 1.517 0.21 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.212 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.408 ' HB3' ' HB2' ' A' ' 29' ' ' ARG . 22.3 t0 -76.53 93.58 3.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.887 0.375 . . . . 0.0 110.91 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.442 ' HA ' ' CG ' ' A' ' 30' ' ' MET . 16.5 t80 -46.59 -40.5 12.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.866 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.71 -33.7 87.94 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.826 -0.702 . . . . 0.0 113.476 -179.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.408 ' HB2' ' HB3' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -81.65 -43.74 18.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.82 0.31 . . . . 0.0 111.44 -179.385 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.442 ' CG ' ' HA ' ' A' ' 27' ' ' PHE . 12.9 ptp -61.39 -47.92 83.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.207 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -66.29 -35.25 79.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.738 0.304 . . . . 0.0 110.58 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.65 -44.04 89.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.04 0.448 . . . . 0.0 110.244 179.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.22 -40.38 74.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.891 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.449 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 6.7 t80 -53.24 -48.43 68.22 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.684 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.405 ' HA ' ' OG ' ' A' ' 38' ' ' SER . 4.5 mttp -67.32 -31.61 72.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.081 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -70.28 -38.13 74.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.023 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.484 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 1.4 mm-40 -90.2 -23.49 21.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.442 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.405 ' OG ' ' HA ' ' A' ' 35' ' ' LYS . 84.3 p -72.68 -30.88 64.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.845 0.355 . . . . 0.0 110.515 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.24 -30.71 63.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.349 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 4.6 pp -83.82 -21.16 32.18 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.707 0.289 . . . . 0.0 110.965 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.3 mt -95.37 16.57 16.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.802 0.334 . . . . 0.0 110.791 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -85.83 134.65 39.02 Favored Pre-proline 0 N--CA 1.453 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.457 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -43.52 -37.56 7.98 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.708 2.272 . . . . 0.0 112.8 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -64.7 -16.38 62.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.688 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 35.2 mmtt -111.81 31.04 6.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.787 0.327 . . . . 0.0 111.074 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.65 66.87 2.5 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.595 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -137.66 171.0 23.45 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.367 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.02 151.6 21.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.826 0.346 . . . . 0.0 110.837 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -79.57 -45.17 19.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.403 ' HA ' ' CG ' ' A' ' 53' ' ' GLN . . . -58.68 -24.26 60.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.406 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.1 mp -74.08 -59.8 2.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.193 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 10.4 tpt -55.17 -44.12 74.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.365 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.403 ' CG ' ' HA ' ' A' ' 50' ' ' ALA . 1.3 pp0? -67.01 -29.89 69.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.045 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.7 -39.25 93.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.842 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.449 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 16.5 tp -69.18 -34.7 75.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.727 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -65.34 -30.23 71.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.076 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.25 -30.83 66.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.464 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 2.3 mt -89.57 -29.32 18.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.05 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.594 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 66.0 t-105 -88.91 -21.41 23.63 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.23 -60.23 3.63 Favored Glycine 0 C--N 1.334 0.428 0 C-N-CA 121.019 -0.61 . . . . 0.0 111.989 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.592 ' CG2' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -55.05 -49.2 72.18 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 106.829 -1.545 . . . . 0.0 106.829 179.239 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.64 ' O ' ' HG3' ' A' ' 65' ' ' GLU . 5.5 t80 -46.85 -55.25 8.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 113.159 -1.837 . . . . 0.0 109.647 177.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.594 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 1.0 OUTLIER -49.22 -37.95 24.73 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.374 179.682 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.425 ' HB ' ' O ' ' A' ' 61' ' ' THR . 85.4 m -54.46 -43.02 71.31 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 178.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.64 ' HG3' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -84.75 -20.63 30.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.31 178.627 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.578 ' HB ' ' HA ' ' A' ' 63' ' ' LYS . 23.2 t . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 121.014 0.435 . . . . 0.0 110.825 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.757 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 121.338 0.589 . . . . 0.0 112.03 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.0 p -90.77 -167.97 1.96 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.673 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.408 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -62.32 -38.63 90.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.94 179.809 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.97 -48.28 74.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.316 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.757 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 5.8 m-20 -64.32 -55.14 23.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.684 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.467 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -57.93 -32.0 67.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.919 0.39 . . . . 0.0 110.171 179.644 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 13.0 tt0 -69.38 -35.44 75.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.806 178.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -65.68 -36.18 82.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.796 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 tp -64.07 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.006 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.431 HD21 ' CD2' ' A' ' 19' ' ' LEU . 12.5 mt -69.9 -42.46 73.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.352 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.93 -46.54 74.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.6 -13.55 60.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.852 179.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.468 HD11 ' CA ' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -89.93 -7.73 53.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.82 -179.787 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.55 19.44 3.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.399 0.619 . . . . 0.0 109.656 -178.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.581 HD13 ' HG2' ' A' ' 29' ' ' ARG . 6.0 tt -113.23 110.96 50.43 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.856 -179.115 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.526 ' O ' HD11 ' A' ' 23' ' ' LEU . 73.9 Cg_exo -50.08 166.83 0.25 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.645 2.23 . . . . 0.0 113.214 -178.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.78 -3.29 58.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.394 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -79.03 -32.67 45.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.075 0.464 . . . . 0.0 111.149 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.555 HD23 HD23 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -102.75 10.92 38.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.201 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.467 ' CH2' ' HB2' ' A' ' 10' ' ' LYS . 25.0 t-105 -55.01 105.81 0.18 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.98 0.419 . . . . 0.0 110.858 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 151.6 -27.22 0.95 Allowed Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.444 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -80.42 94.01 6.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.516 0.198 . . . . 0.0 111.026 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.585 ' CD1' HG13 ' A' ' 66' ' ' VAL . 19.8 t80 -47.48 -41.73 21.31 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.883 0.373 . . . . 0.0 111.377 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.453 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -60.01 -33.23 78.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.542 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.581 ' HG2' HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -81.29 -49.37 10.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.645 0.259 . . . . 0.0 111.395 -179.687 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.488 ' CG ' ' HA ' ' A' ' 27' ' ' PHE . 15.1 ptp -61.77 -49.12 77.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.524 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -62.94 -39.65 95.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.786 0.327 . . . . 0.0 110.259 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.453 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.5 OUTLIER -61.31 -32.41 72.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.903 179.213 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.436 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -81.28 -43.19 19.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.293 179.283 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.502 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 17.1 t80 -53.38 -48.78 68.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.79 179.544 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.48 -32.47 70.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.771 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.02 -41.83 98.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.708 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.429 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 77.5 mm-40 -86.25 -18.38 32.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.101 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.4 m -72.18 -38.34 69.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.435 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.424 ' O ' ' HD3' ' A' ' 45' ' ' LYS . 4.3 mt -62.73 -33.05 74.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.158 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.565 HD11 ' HG ' ' A' ' 41' ' ' LEU . 4.1 pp -87.92 -15.89 35.38 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.919 -0.313 . . . . 0.0 110.879 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.565 ' HG ' HD11 ' A' ' 40' ' ' LEU . 45.0 mt -95.34 7.94 44.67 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 120.7 0.286 . . . . 0.0 111.026 178.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.438 ' ND1' ' HD2' ' A' ' 43' ' ' PRO . 16.1 t60 -87.27 133.62 38.24 Favored Pre-proline 0 N--CA 1.455 -0.209 0 CA-C-O 120.711 0.291 . . . . 0.0 110.992 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.438 ' HD2' ' ND1' ' A' ' 42' ' ' HIS . 81.2 Cg_exo -46.14 -30.56 7.73 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.087 2.525 . . . . 0.0 112.837 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -70.01 -11.9 61.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.285 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.469 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 2.5 mptp? -123.56 29.71 6.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.909 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.3 67.04 2.2 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.604 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -137.12 169.15 24.09 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.521 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.02 145.21 25.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.788 0.328 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -76.6 -46.66 25.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.711 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.38 -32.67 64.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.354 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.97 -49.41 65.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.02 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.447 ' HE2' ' HA ' ' A' ' 52' ' ' MET . 0.0 OUTLIER -65.36 -27.23 68.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.233 -179.708 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -78.57 -40.89 33.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.653 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -63.68 -45.21 91.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.713 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.502 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 13.4 tp -58.84 -47.28 85.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.08 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -57.21 -27.7 62.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.046 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.0 m -71.13 -43.88 66.7 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.041 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.438 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 9.7 mt -75.95 -28.83 58.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.775 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.58 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 68.9 t-105 -89.44 -18.05 27.53 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.425 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.1 -63.06 2.47 Favored Glycine 0 C--N 1.334 0.431 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.885 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.539 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -55.3 -49.94 70.84 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 178.92 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.539 ' N ' ' CG2' ' A' ' 61' ' ' THR . 4.0 t80 -44.16 -49.5 9.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 113.517 -1.674 . . . . 0.0 109.467 178.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.58 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 2.8 ttmt -57.38 -39.72 76.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.308 -1.315 . . . . 0.0 111.495 179.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 95.6 m -49.22 -38.18 25.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.333 0.587 . . . . 0.0 109.476 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -84.35 -30.22 25.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.463 178.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.585 HG13 ' CD1' ' A' ' 27' ' ' PHE . 50.7 t . . . . . 0 N--CA 1.455 -0.214 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.015 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.737 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER . . . . . 0 N--CA 1.46 0.033 0 CA-C-O 121.135 0.493 . . . . 0.0 111.585 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 p -85.73 179.37 7.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.058 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 43.4 ttm-85 -50.83 -39.14 52.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.24 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.29 -48.9 68.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.601 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.737 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 5.5 m-20 -63.19 -57.09 11.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.034 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -55.65 -33.43 64.05 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.008 0.433 . . . . 0.0 110.034 179.605 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.41 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 10.8 tt0 -69.6 -33.92 73.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.317 178.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 40.5 ttt85 -66.1 -37.31 85.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.726 178.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.461 ' HB2' ' HB3' ' A' ' 58' ' ' LEU . 1.8 tp -60.18 -36.77 78.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.945 179.209 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.461 HD21 HD23 ' A' ' 19' ' ' LEU . 10.5 mt -68.0 -37.03 80.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.662 179.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.3 -38.53 68.77 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.961 0.41 . . . . 0.0 110.419 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 mp -84.38 -19.02 34.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.745 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.465 HD11 ' N ' ' A' ' 34' ' ' TYR . 1.2 mm? -89.22 -6.42 56.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.93 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 mptt 56.03 19.2 3.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.366 0.603 . . . . 0.0 109.818 -178.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.553 HD22 HD23 ' A' ' 23' ' ' LEU . 4.6 tt -112.1 107.27 55.94 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.136 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.492 ' O ' HD13 ' A' ' 23' ' ' LEU . 64.3 Cg_exo -51.89 168.34 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.881 2.387 . . . . 0.0 113.766 -178.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.455 ' HG3' ' CD1' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -84.96 -6.24 59.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.132 179.388 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -76.61 -31.79 57.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.464 -178.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.553 HD23 HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -107.96 12.98 26.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.167 179.846 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 30.8 t-105 -55.38 106.21 0.22 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.117 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 150.04 -24.32 1.14 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.692 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -78.84 85.08 4.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.761 0.315 . . . . 0.0 110.972 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.462 ' CE1' HG13 ' A' ' 66' ' ' VAL . 14.2 t80 -44.57 -40.12 5.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.963 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.06 -40.41 97.04 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.787 -0.72 . . . . 0.0 113.209 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.441 ' HB3' HD12 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -77.23 -50.65 12.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.683 0.241 . . . . 0.0 111.586 -179.326 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.451 ' CG ' ' HA ' ' A' ' 27' ' ' PHE . 15.4 ptp -57.69 -45.42 85.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.595 0.236 . . . . 0.0 111.099 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -62.61 -38.9 92.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.962 0.41 . . . . 0.0 109.947 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -63.25 -33.19 74.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.776 179.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.3 -41.0 25.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.371 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.467 ' CE2' ' CG ' ' A' ' 59' ' ' TRP . 11.9 t80 -54.32 -42.86 70.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.984 0.421 . . . . 0.0 110.371 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.404 ' HA ' ' HB2' ' A' ' 38' ' ' SER . 0.7 OUTLIER -76.33 -37.55 57.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.53 179.783 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -60.62 -37.69 82.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.344 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.539 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 17.5 mm100 -87.37 -20.96 25.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.941 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.404 ' HB2' ' HA ' ' A' ' 35' ' ' LYS . 1.5 m -66.69 -27.15 67.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.851 0.358 . . . . 0.0 110.582 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.03 -31.39 62.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.209 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 4.4 pp -89.43 -15.21 33.7 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.101 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 87.9 mt -92.24 5.47 50.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.627 0.251 . . . . 0.0 111.269 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.494 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 4.0 t60 -87.8 135.93 33.24 Favored Pre-proline 0 C--N 1.331 -0.198 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.494 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 15.4 Cg_endo -58.03 -2.92 0.95 Allowed 'Trans proline' 0 CA--C 1.532 0.403 0 C-N-CA 122.79 2.326 . . . . 0.0 113.436 -179.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.01 -25.39 20.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.723 0.297 . . . . 0.0 110.944 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -105.59 30.91 5.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.722 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.06 32.81 85.41 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.556 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -95.51 174.84 32.47 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.576 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.0 m -90.05 149.03 22.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.746 0.308 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 35.3 t-80 -83.23 -39.25 21.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.459 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -66.17 -27.51 68.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.419 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.56 -51.28 17.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.735 0.302 . . . . 0.0 111.115 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.12 -48.0 68.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.459 -179.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -69.08 -31.12 69.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.215 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.459 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 16.1 tt0 -63.86 -50.86 67.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.775 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.9 tp -56.44 -37.8 70.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.079 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -65.91 -29.83 70.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.8 t -78.69 -35.84 44.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.143 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.461 ' HB3' ' HB2' ' A' ' 13' ' ' LEU . 1.4 mt -83.89 -30.96 25.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.118 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.645 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 73.5 t-105 -85.3 -15.7 42.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.542 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.88 -65.21 2.0 Allowed Glycine 0 C--N 1.333 0.398 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.401 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.525 ' CG2' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -55.15 -49.52 71.61 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 179.451 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.523 ' N ' ' CG2' ' A' ' 61' ' ' THR . 3.0 t80 -44.16 -53.14 6.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 113.564 -1.653 . . . . 0.0 109.488 178.101 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.645 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 2.4 ttmt -53.71 -41.78 67.33 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.265 -1.334 . . . . 0.0 111.142 179.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 28.2 m -48.3 -37.11 15.59 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.54 -31.25 22.81 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.635 178.22 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.543 ' HB ' ' HA ' ' A' ' 63' ' ' LYS . 89.1 t . . . . . 0 N--CA 1.456 -0.142 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.196 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.655 ' HB2' ' HB3' ' A' ' 9' ' ' ASP . 1.4 pt? . . . . . 0 N--CA 1.454 -0.24 0 CA-C-O 121.13 0.49 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.8 p -64.12 179.11 0.58 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.643 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.414 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 1.6 ttt180 -59.24 -33.47 71.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.28 -29.68 64.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.629 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.655 ' HB3' ' HB2' ' A' ' 5' ' ' LEU . 8.8 m-20 -69.23 -57.98 4.64 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.56 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.505 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -50.0 -42.09 48.4 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.811 0.339 . . . . 0.0 110.448 179.756 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 7' ' ' ARG . 53.1 mt-10 -67.74 -35.43 78.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.138 179.062 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.67 -38.84 67.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.859 179.312 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.439 HD22 ' CD2' ' A' ' 62' ' ' PHE . 1.6 tp -61.05 -27.5 68.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.87 178.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.454 HD22 HD21 ' A' ' 19' ' ' LEU . 12.3 mt -75.33 -51.71 12.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.849 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -52.12 -24.71 7.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.181 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.441 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 3.5 mt -89.0 -30.74 18.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.24 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.449 ' CD1' HD11 ' A' ' 55' ' ' LEU . 7.3 mp -82.16 1.92 33.98 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.3 mttt 53.94 19.66 2.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.368 0.604 . . . . 0.0 110.062 -178.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.578 HD22 HD22 ' A' ' 23' ' ' LEU . 5.5 tt -109.36 111.21 59.93 Favored Pre-proline 0 N--CA 1.451 -0.425 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.951 -179.218 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.511 ' O ' HD12 ' A' ' 23' ' ' LEU . 73.0 Cg_exo -49.6 168.83 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.873 2.382 . . . . 0.0 113.736 -178.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.424 ' HA ' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -90.33 -3.09 57.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.233 179.372 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -79.57 -29.24 41.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.082 0.468 . . . . 0.0 110.896 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.578 HD22 HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -107.72 14.85 25.17 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.952 179.898 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.505 ' CH2' ' HB2' ' A' ' 10' ' ' LYS . 35.9 t-105 -58.24 89.04 0.01 OUTLIER 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.037 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 166.18 -29.5 0.19 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.749 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -76.72 88.65 3.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.902 0.382 . . . . 0.0 111.097 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.447 ' HA ' ' CG ' ' A' ' 30' ' ' MET . 4.7 t80 -46.09 -38.44 8.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.926 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.51 -34.89 90.81 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.834 -0.698 . . . . 0.0 113.042 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -79.83 -42.83 23.53 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 122.789 -0.242 . . . . 0.0 111.489 -179.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.451 ' HA ' HD13 ' A' ' 19' ' ' LEU . 10.7 ptp -69.59 -39.19 77.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.616 0.246 . . . . 0.0 111.198 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -64.24 -37.83 88.87 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -63.71 -40.38 96.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.987 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.7 -32.51 62.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.414 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.508 ' CE2' ' CG ' ' A' ' 59' ' ' TRP . 11.8 t80 -65.89 -40.87 91.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.484 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.45 -38.52 91.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.81 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -74.45 -48.25 28.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.442 ' HG2' ' HA ' ' A' ' 17' ' ' LEU . 3.3 mp0 -60.13 -27.48 67.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.94 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.1 m -70.88 -30.4 66.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.533 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.46 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 9.9 mt -70.15 -31.82 69.5 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.795 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.448 HD11 ' HG ' ' A' ' 41' ' ' LEU . 3.9 pp -88.76 -17.61 29.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.998 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.448 ' HG ' HD11 ' A' ' 40' ' ' LEU . 3.3 mt -95.6 -1.43 50.36 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.364 179.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -75.93 121.07 84.32 Favored Pre-proline 0 CA--C 1.529 0.172 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.096 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -42.64 -26.01 0.57 Allowed 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.811 2.34 . . . . 0.0 113.151 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.53 -11.86 54.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.526 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' A' ' 39' ' ' LEU . 30.1 mmtt -117.51 31.04 6.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.795 0.331 . . . . 0.0 110.902 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.66 21.59 79.52 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.6 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -91.73 170.18 33.34 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.419 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.21 155.43 19.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.864 0.364 . . . . 0.0 110.909 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -83.23 -50.96 7.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.79 -24.76 37.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.307 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.437 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 0.8 OUTLIER -77.46 -49.88 13.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.906 0.384 . . . . 0.0 111.272 -179.76 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 7.8 tpt -61.31 -52.02 66.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.366 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -61.49 -31.47 71.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.908 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -48.91 76.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.104 0.478 . . . . 0.0 110.391 179.602 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.449 HD11 ' CD1' ' A' ' 17' ' ' LEU . 3.1 tp -66.79 -37.27 84.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.03 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -62.27 -43.3 99.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.71 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.9 m -74.01 -30.58 62.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.794 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.541 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 1.4 mt -79.77 -22.53 43.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.916 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.565 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 64.4 t-105 -89.13 -17.57 28.95 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.106 179.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.433 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -81.11 -58.07 2.69 Favored Glycine 0 C--N 1.334 0.422 0 C-N-CA 120.875 -0.679 . . . . 0.0 111.807 178.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.602 ' CG2' HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -57.56 -48.58 78.94 Favored 'General case' 0 CA--C 1.515 -0.394 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 178.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.516 ' N ' ' CG2' ' A' ' 61' ' ' THR . 2.8 t80 -46.35 -57.47 4.59 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 113.695 -1.593 . . . . 0.0 109.412 177.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.565 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 3.2 ttmt -48.05 -46.06 32.94 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.298 -1.319 . . . . 0.0 111.413 179.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 92.1 m -50.75 -35.28 30.81 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.9 -30.94 23.98 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.187 178.067 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.558 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 77.8 t . . . . . 0 N--CA 1.454 -0.239 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.343 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.701 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.95 0.405 . . . . 0.0 111.709 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.7 p -83.39 -171.3 3.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.295 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.404 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . 2.5 ptm180 -60.23 -36.68 78.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.641 0.257 . . . . 0.0 111.333 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.3 -48.35 61.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.777 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.701 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 4.9 m-20 -63.15 -47.65 81.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.289 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 11' ' ' GLU . 9.3 pttp -59.93 -33.23 71.62 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.068 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.43 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 1.1 mt-10 -68.73 -36.19 78.1 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.581 178.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -64.52 -31.16 72.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.229 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.465 HD22 ' CD2' ' A' ' 62' ' ' PHE . 3.6 tp -63.76 -41.66 97.94 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 121.2 0.524 . . . . 0.0 109.713 179.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.501 ' CD1' ' HG2' ' A' ' 21' ' ' ARG . 14.9 mt -62.72 -40.8 98.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.283 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -52.1 -53.26 44.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.872 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.488 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 0.6 OUTLIER -74.96 -11.23 60.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.614 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.466 ' N ' HD22 ' A' ' 17' ' ' LEU . 1.3 mm? -90.47 -8.96 49.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.87 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 54.05 20.08 2.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.248 0.547 . . . . 0.0 110.103 -178.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.484 HD11 ' HB3' ' A' ' 29' ' ' ARG . 4.1 tt -110.04 109.95 58.88 Favored Pre-proline 0 N--CA 1.451 -0.423 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.017 -179.224 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.46 ' O ' HD13 ' A' ' 23' ' ' LEU . 74.3 Cg_exo -49.41 170.73 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.033 2.489 . . . . 0.0 114.128 -178.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.501 ' HG2' ' CD1' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -90.13 -3.41 57.91 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.502 179.73 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -82.88 -26.67 31.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.883 0.373 . . . . 0.0 111.284 -178.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -109.89 12.21 23.94 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.458 -179.791 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.443 ' CZ3' ' HG ' ' A' ' 14' ' ' LEU . 54.8 t-105 -52.31 101.15 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.989 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.75 -26.46 0.83 Allowed Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.782 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.415 ' O ' ' HG2' ' A' ' 30' ' ' MET . 15.0 t70 -76.69 91.73 3.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.668 0.271 . . . . 0.0 111.156 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.481 ' CD1' ' CG1' ' A' ' 66' ' ' VAL . 20.7 t80 -49.6 -34.58 18.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.796 -179.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.9 -36.9 91.75 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.828 -0.701 . . . . 0.0 113.487 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.484 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -81.73 -34.31 30.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.92 0.36 . . . . 0.0 111.867 -179.126 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.48 ' CG ' ' HA ' ' A' ' 27' ' ' PHE . 17.5 ptp -71.68 -45.98 60.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.551 0.215 . . . . 0.0 111.011 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -64.89 -37.76 88.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.944 0.402 . . . . 0.0 109.933 179.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.466 ' O ' ' HB2' ' A' ' 36' ' ' GLN . 2.5 mt-30 -61.85 -28.51 69.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.939 179.072 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.91 -43.66 13.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.616 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.486 ' CD2' ' CG ' ' A' ' 59' ' ' TRP . 9.1 t80 -51.62 -42.43 61.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.609 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.42 -39.14 47.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.733 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.466 ' HB2' ' O ' ' A' ' 32' ' ' GLN . 0.1 OUTLIER -61.5 -42.75 99.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.434 179.707 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 2.3 mp0 -81.12 -21.34 39.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.723 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.6 m -62.73 -26.24 68.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.921 0.391 . . . . 0.0 110.383 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 23.6 mt -70.44 -46.89 62.97 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.55 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.476 HD22 ' HA ' ' A' ' 37' ' ' GLN . 3.0 pp -68.94 -20.02 64.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.703 0.287 . . . . 0.0 110.859 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.1 mt -95.57 7.33 46.55 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.338 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.484 ' HD1' ' H ' ' A' ' 44' ' ' ASP . 51.0 t-80 -89.98 136.72 28.7 Favored Pre-proline 0 CA--C 1.531 0.232 0 CA-C-O 120.689 0.281 . . . . 0.0 110.425 179.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.422 ' HD2' ' ND1' ' A' ' 42' ' ' HIS . 73.5 Cg_exo -47.89 -12.91 0.17 Allowed 'Trans proline' 0 CA--C 1.533 0.429 0 C-N-CA 123.042 2.495 . . . . 0.0 113.904 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.484 ' H ' ' HD1' ' A' ' 42' ' ' HIS . 0.7 OUTLIER -88.84 -23.3 22.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.786 0.327 . . . . 0.0 111.012 -179.674 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.5 mptt -115.63 29.22 8.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.776 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.2 62.97 3.84 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.438 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -124.49 153.78 17.77 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.799 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.24 157.2 17.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.748 0.308 . . . . 0.0 111.008 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -79.26 -51.31 9.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.54 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.9 -25.39 7.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.504 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.5 mp -78.79 -51.95 9.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -30.07 69.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.004 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -77.09 -45.61 26.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.615 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.33 -41.64 93.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.578 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.452 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 7.5 tp -60.76 -51.45 69.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.389 179.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -57.02 -31.09 64.78 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.177 179.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 m -74.87 -49.72 19.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.131 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.485 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 5.0 mt -73.9 -25.66 60.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.404 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.561 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 60.0 t-105 -89.93 -17.68 27.51 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.94 -61.9 2.45 Favored Glycine 0 C--N 1.336 0.546 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.088 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.538 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -55.34 -50.07 70.59 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 179.194 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.538 ' N ' ' CG2' ' A' ' 61' ' ' THR . 7.0 t80 -43.82 -54.45 5.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 113.391 -1.732 . . . . 0.0 109.458 177.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.561 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 3.0 ttmt -51.15 -42.68 60.93 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.359 -1.291 . . . . 0.0 111.036 179.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 63.2 m -50.65 -35.79 32.39 Favored 'General case' 0 CA--C 1.521 -0.173 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -85.37 -29.0 24.8 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.59 178.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.532 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 71.9 t . . . . . 0 N--CA 1.453 -0.29 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.33 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.774 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.0 pt? . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.929 0.395 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.5 p -88.19 -171.11 3.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.263 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.426 ' HG2' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -62.41 -32.9 73.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.778 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.426 ' N ' ' HG2' ' A' ' 7' ' ' ARG . . . -68.98 -33.86 74.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.312 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.774 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 3.3 m-20 -69.47 -56.94 5.96 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.109 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.555 ' N ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -60.09 -45.3 93.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.48 -179.398 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.49 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -63.63 -29.94 71.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.776 0.322 . . . . 0.0 110.941 -179.783 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -78.8 -34.43 45.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.04 0.448 . . . . 0.0 110.026 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 tp -66.2 -32.59 74.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.945 179.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.458 ' HG ' ' CZ3' ' A' ' 24' ' ' TRP . 12.8 mt -69.57 -35.32 75.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.53 179.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -58.34 -46.24 86.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.445 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.5 mt -76.23 -16.3 59.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.816 179.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.502 HD13 ' HB2' ' A' ' 33' ' ' ALA . 1.1 mm? -90.17 -9.94 46.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.587 -179.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.29 22.38 1.37 Allowed 'General case' 0 C--O 1.231 0.098 0 CA-C-O 121.37 0.605 . . . . 0.0 109.955 -178.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.589 ' CD1' HD21 ' A' ' 23' ' ' LEU . 3.9 tt -112.78 111.7 51.19 Favored Pre-proline 0 N--CA 1.449 -0.496 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.776 -178.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.493 ' O ' HD12 ' A' ' 23' ' ' LEU . 80.5 Cg_exo -45.41 166.55 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.71 2.273 . . . . 0.0 113.432 -178.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.02 -3.15 58.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.169 179.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.77 -31.3 46.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.031 0.443 . . . . 0.0 111.012 -179.206 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.589 HD21 ' CD1' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -106.91 19.49 20.39 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.659 179.829 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.458 ' CZ3' ' HG ' ' A' ' 14' ' ' LEU . 66.3 t-105 -55.2 -17.55 4.55 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.655 179.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.33 -19.8 68.32 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.715 -0.755 . . . . 0.0 113.198 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -83.72 126.21 32.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.878 0.371 . . . . 0.0 111.021 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.427 ' CD1' HG11 ' A' ' 66' ' ' VAL . 27.1 t80 -82.52 -40.31 21.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.042 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.01 -28.92 73.51 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.756 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.405 ' HB3' HD12 ' A' ' 19' ' ' LEU . 32.5 mmt180 -74.94 -50.2 17.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.89 0.376 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 12.5 ptp -59.23 -48.23 82.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.101 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -60.04 -36.08 76.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.839 0.352 . . . . 0.0 110.809 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -60.53 -42.44 96.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.509 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.502 ' HB2' HD13 ' A' ' 17' ' ' LEU . . . -77.49 -39.95 44.59 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.677 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.458 ' HB2' HD11 ' A' ' 17' ' ' LEU . 9.6 t80 -49.47 -46.74 48.44 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.864 0.364 . . . . 0.0 110.617 179.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -75.57 -30.21 59.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.814 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.13 -30.94 63.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.669 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.497 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 43.4 mm-40 -90.03 -19.46 24.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.092 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.5 p -69.61 -27.59 65.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.652 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.43 -30.04 59.9 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.336 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.8 pp -89.78 -18.74 25.74 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 121.093 -0.243 . . . . 0.0 110.97 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.1 mt -94.49 12.44 27.28 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.753 0.311 . . . . 0.0 110.691 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.527 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 12.4 t-80 -83.78 136.13 42.2 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.391 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.527 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 19.6 Cg_endo -58.9 -15.21 25.94 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.679 2.253 . . . . 0.0 112.942 -179.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -86.47 -21.66 26.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.645 0.26 . . . . 0.0 110.994 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -103.77 30.74 4.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.661 -179.861 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 62.96 47.6 87.46 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.564 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -115.98 168.23 12.63 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.415 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.07 141.39 28.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.798 0.332 . . . . 0.0 110.715 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.448 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 34.8 p80 -74.25 -38.8 63.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.817 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.04 -25.22 58.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.591 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.4 mp -79.78 -50.05 11.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.199 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.8 tpt -60.58 -44.63 96.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.222 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.448 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 2.3 pt20 -64.02 -25.1 67.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.075 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -79.84 -43.07 23.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.01 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.447 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 10.2 tp -56.43 -49.96 73.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.183 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -61.84 -31.8 72.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.871 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.4 t -80.17 -35.11 36.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.947 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.597 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 16.6 mt -83.74 -24.14 31.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.083 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.572 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 67.7 t-105 -89.99 -24.99 21.09 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.54 -61.76 3.49 Favored Glycine 0 C--N 1.335 0.476 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.17 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.734 HG22 ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -53.11 -47.07 68.91 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 178.883 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.734 ' N ' HG22 ' A' ' 61' ' ' THR . 2.2 t80 -48.84 -52.48 23.92 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 113.0 -1.909 . . . . 0.0 109.33 177.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.572 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -55.75 -37.77 68.95 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.315 -1.311 . . . . 0.0 111.156 179.675 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.2 m -47.2 -39.4 13.87 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.274 0.559 . . . . 0.0 109.654 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -85.54 -30.27 23.52 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.787 178.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.57 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 66.9 t . . . . . 0 C--O 1.231 0.117 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.084 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.753 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.6 pt? . . . . . 0 N--CA 1.463 0.206 0 CA-C-O 121.009 0.433 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 p -90.08 -179.44 5.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.487 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 58.0 ttp85 -52.99 -35.62 59.47 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.656 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.82 -43.57 95.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.234 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.753 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 1.2 m-20 -69.56 -55.4 10.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.588 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.484 ' N ' HD13 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -54.04 -42.71 69.49 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.757 0.313 . . . . 0.0 110.657 -179.33 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.416 ' HG2' ' HD3' ' A' ' 10' ' ' LYS . 4.9 mm-40 -67.74 -28.22 67.45 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.458 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.61 -48.13 42.16 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.523 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.471 ' HB2' ' HB3' ' A' ' 58' ' ' LEU . 1.4 tp -58.44 -32.34 68.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.32 179.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 21' ' ' ARG . 13.5 mt -66.01 -42.27 89.9 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.154 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -58.58 -37.92 76.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.1 0.476 . . . . 0.0 110.605 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.451 ' N ' HD13 ' A' ' 16' ' ' LEU . 9.6 mp -81.98 -17.52 46.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.018 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.453 ' N ' HD22 ' A' ' 17' ' ' LEU . 1.1 mm? -90.21 -5.87 55.91 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? 55.31 19.77 3.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.446 0.641 . . . . 0.0 109.74 -178.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.434 HD21 HD23 ' A' ' 23' ' ' LEU . 4.4 tt -111.23 110.74 56.01 Favored Pre-proline 0 N--CA 1.45 -0.453 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.486 -179.422 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.474 ' O ' HD13 ' A' ' 23' ' ' LEU . 80.2 Cg_exo -45.95 167.74 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.836 2.357 . . . . 0.0 113.645 -178.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.48 ' HA ' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -90.22 -2.88 58.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.48 179.853 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -82.57 -29.59 30.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.788 0.328 . . . . 0.0 111.492 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.481 ' O ' ' CD2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -104.48 14.44 30.04 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.297 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.447 ' CH2' ' HB2' ' A' ' 10' ' ' LYS . 53.3 t-105 -52.94 97.96 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.192 179.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 157.13 -24.82 0.47 Allowed Glycine 0 C--N 1.332 0.321 0 C-N-CA 120.618 -0.801 . . . . 0.0 113.002 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -75.05 91.94 2.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.64 0.257 . . . . 0.0 111.203 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.531 ' CD1' HG11 ' A' ' 66' ' ' VAL . 29.2 t80 -51.58 -33.34 32.23 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.388 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.453 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -67.13 -35.82 89.36 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.62 -0.8 . . . . 0.0 113.0 -179.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -79.49 -46.02 18.23 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.687 0.255 . . . . 0.0 111.687 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.432 ' CG ' ' HA ' ' A' ' 27' ' ' PHE . 18.2 ptp -60.37 -47.19 87.12 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.339 -179.497 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -64.71 -35.08 79.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.757 0.313 . . . . 0.0 110.36 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.453 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -65.56 -41.74 92.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.123 0.487 . . . . 0.0 110.046 179.152 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.02 -41.49 64.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.604 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.459 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 9.0 t80 -49.43 -43.65 44.87 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.783 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.0 -36.05 61.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -66.2 -35.17 79.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.717 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 27.7 mm100 -89.11 -20.7 23.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.164 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.07 -31.47 69.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.578 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.44 HD22 ' HE3' ' A' ' 45' ' ' LYS . 5.3 mt -70.73 -39.82 73.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.936 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 pp -84.56 -11.98 55.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.302 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.7 mt -93.42 -3.94 52.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.211 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.467 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 9.3 t-80 -82.84 130.37 58.2 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.723 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.467 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 86.1 Cg_exo -45.38 -28.6 4.01 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.926 2.417 . . . . 0.0 113.381 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.15 -11.02 60.18 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.239 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.447 ' HE2' ' HB3' ' A' ' 42' ' ' HIS . 0.1 OUTLIER -119.67 31.36 6.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.798 0.332 . . . . 0.0 110.867 -179.798 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.33 57.02 11.09 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.49 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -133.2 173.12 21.2 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.44 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.22 151.02 21.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.919 0.39 . . . . 0.0 111.035 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 63.8 t60 -83.13 -26.7 30.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.071 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.1 -26.64 53.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.457 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.14 -49.13 15.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.873 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -46.79 85.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.015 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -33.52 76.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.823 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -69.19 -35.76 76.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.611 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.459 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 13.2 tp -58.68 -51.11 71.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.325 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -61.59 -35.82 78.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.178 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.2 p -73.55 -37.37 65.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.042 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.61 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 13.3 mt -81.15 -26.16 36.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.215 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.568 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 62.0 t-105 -90.05 -26.4 20.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.974 0.416 . . . . 0.0 110.021 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.47 -67.35 1.98 Allowed Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.044 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.717 HG22 HD23 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -49.9 -50.1 47.25 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 179.068 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.54 ' N ' ' CG2' ' A' ' 61' ' ' THR . 3.8 t80 -45.6 -50.85 12.85 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 113.6 -1.636 . . . . 0.0 109.203 177.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.568 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -56.33 -35.65 67.84 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 114.019 -1.446 . . . . 0.0 110.884 179.398 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.8 m -48.06 -39.46 20.1 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 121.338 0.59 . . . . 0.0 109.546 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -84.96 -30.95 23.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.706 178.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.555 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 77.5 t . . . . . 0 N--CA 1.456 -0.16 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.179 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.65 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.15 0.5 . . . . 0.0 111.75 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.6 p -88.9 -167.17 1.8 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.12 -179.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.533 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 14.5 mtt-85 -60.62 -37.9 82.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.204 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.22 -52.54 33.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.312 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.65 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 33.5 m-20 -59.48 -49.78 76.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.848 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -60.91 -34.64 74.98 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.362 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.533 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -65.54 -37.87 87.98 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.62 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -64.56 -33.72 76.57 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.152 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.414 HD22 ' CD2' ' A' ' 62' ' ' PHE . 3.3 tp -61.6 -43.38 98.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.332 179.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.407 ' CD2' HD21 ' A' ' 19' ' ' LEU . 15.3 mt -64.19 -40.67 96.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.81 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -55.63 -32.84 63.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.936 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -84.94 -20.53 30.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.861 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.452 ' HA ' ' HG2' ' A' ' 37' ' ' GLN . 8.8 mp -85.51 -5.32 59.3 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.799 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 53.12 19.98 1.62 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.19 0.519 . . . . 0.0 110.321 -179.04 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.734 ' HG ' HD11 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -111.01 124.95 31.62 Favored Pre-proline 0 N--CA 1.448 -0.558 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.782 -179.15 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.498 ' O ' HD13 ' A' ' 23' ' ' LEU . 71.2 Cg_exo -45.48 164.43 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.756 2.304 . . . . 0.0 113.698 -178.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.4 ptt85 -90.68 -15.52 30.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.973 179.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -65.34 -36.22 83.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.77 -179.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.734 HD11 ' HG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -90.81 4.59 51.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.735 -179.435 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.456 ' CH2' ' CZ ' ' A' ' 62' ' ' PHE . 62.9 t-105 -51.59 100.69 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.419 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 153.94 -36.37 0.72 Allowed Glycine 0 C--N 1.332 0.354 0 C-N-CA 120.523 -0.846 . . . . 0.0 113.281 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.439 ' O ' ' HG2' ' A' ' 30' ' ' MET . 5.4 t70 -83.75 96.16 8.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.728 0.264 . . . . 0.0 111.615 -179.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.513 ' HA ' ' CG ' ' A' ' 30' ' ' MET . 3.0 t80 -42.71 -44.61 4.4 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.639 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.82 -41.73 91.3 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.913 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.3 mtm-85 -77.91 -51.71 10.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.692 0.282 . . . . 0.0 111.309 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.513 ' CG ' ' HA ' ' A' ' 27' ' ' PHE . 13.9 ptp -59.23 -40.96 87.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.93 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -67.68 -32.81 73.73 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.916 0.389 . . . . 0.0 110.208 179.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -34.34 71.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.004 179.122 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.432 ' CB ' ' HB2' ' A' ' 19' ' ' LEU . . . -78.43 -46.4 19.9 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.526 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.43 ' CE2' ' CB ' ' A' ' 59' ' ' TRP . 4.8 t80 -54.59 -47.9 72.78 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.341 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -61.44 -40.97 96.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.731 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -76.42 -23.22 53.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.02 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.522 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 1.4 mp0 -89.78 -22.86 21.93 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.904 0.383 . . . . 0.0 110.837 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 83.0 p -71.35 -29.18 64.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.877 0.37 . . . . 0.0 110.247 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.98 -32.57 74.13 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.093 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.8 pp -89.32 -16.86 30.1 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.703 0.287 . . . . 0.0 111.006 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.5 mt -94.33 0.93 55.88 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 120.87 0.367 . . . . 0.0 110.958 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.528 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 19.1 t-80 -88.48 142.43 31.2 Favored Pre-proline 0 CA--C 1.532 0.269 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.225 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.528 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 30.8 Cg_endo -64.94 -5.87 11.6 Favored 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 122.702 2.268 . . . . 0.0 113.638 -179.088 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -88.95 -21.58 23.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.767 0.318 . . . . 0.0 110.866 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -109.58 29.36 7.65 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.651 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.66 41.43 64.69 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.492 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -115.79 163.51 12.31 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.554 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.12 146.3 24.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.85 0.357 . . . . 0.0 110.999 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.409 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -78.62 -21.65 48.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.214 -179.469 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.423 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -74.32 -27.15 60.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.859 0.361 . . . . 0.0 111.12 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.9 mp -78.34 -51.22 10.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.933 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -40.29 71.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.342 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 54' ' ' GLU . 10.1 pt20 -74.23 -36.13 63.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.232 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -62.84 -50.75 69.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.909 0.385 . . . . 0.0 110.889 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.43 HD23 ' CE2' ' A' ' 34' ' ' TYR . 17.3 tp -62.57 -37.83 87.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.942 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.93 -37.28 79.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.774 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.11 -30.2 68.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.831 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.486 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 0.9 OUTLIER -86.01 -26.63 25.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.026 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.584 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 69.9 t-105 -90.13 -19.15 24.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.278 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.13 -62.66 2.56 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.918 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.579 ' CG2' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -54.46 -49.82 69.17 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 178.919 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.53 ' N ' ' CG2' ' A' ' 61' ' ' THR . 6.5 t80 -44.41 -54.26 6.06 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 113.497 -1.683 . . . . 0.0 109.111 177.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.584 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 1.4 ttmt -54.37 -44.66 72.41 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.311 -1.313 . . . . 0.0 110.745 178.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.417 ' HB ' ' O ' ' A' ' 61' ' ' THR . 87.3 m -49.91 -35.28 23.2 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 178.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -85.37 -30.12 23.89 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.694 178.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.549 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 58.1 t . . . . . 0 N--CA 1.455 -0.202 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.274 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.65 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.15 0.5 . . . . 0.0 111.75 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.6 p -88.9 -167.17 1.8 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.12 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.533 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 14.5 mtt-85 -60.62 -37.9 82.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.204 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.22 -52.54 33.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.312 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.65 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 33.5 m-20 -59.48 -49.78 76.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.848 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -60.91 -34.64 74.98 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.362 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.533 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -65.54 -37.87 87.98 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.62 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -64.56 -33.72 76.57 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.152 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.414 HD22 ' CD2' ' A' ' 62' ' ' PHE . 3.3 tp -61.6 -43.38 98.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.332 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.407 ' CD2' HD21 ' A' ' 19' ' ' LEU . 15.3 mt -64.19 -40.67 96.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.81 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -55.63 -32.84 63.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.936 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -84.94 -20.53 30.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.861 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.452 ' HA ' ' HG2' ' A' ' 37' ' ' GLN . 8.8 mp -85.51 -5.32 59.3 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.799 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 53.12 19.98 1.62 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.19 0.519 . . . . 0.0 110.321 -179.04 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.734 ' HG ' HD11 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -111.01 124.95 31.62 Favored Pre-proline 0 N--CA 1.448 -0.558 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.782 -179.15 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.498 ' O ' HD13 ' A' ' 23' ' ' LEU . 71.2 Cg_exo -45.48 164.43 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.756 2.304 . . . . 0.0 113.698 -178.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.4 ptt85 -90.68 -15.52 30.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.973 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -65.34 -36.22 83.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.77 -179.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.734 HD11 ' HG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -90.81 4.59 51.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.735 -179.435 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.456 ' CH2' ' CZ ' ' A' ' 62' ' ' PHE . 62.9 t-105 -51.59 100.69 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.419 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 153.94 -36.37 0.72 Allowed Glycine 0 C--N 1.332 0.354 0 C-N-CA 120.523 -0.846 . . . . 0.0 113.281 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.439 ' O ' ' HG2' ' A' ' 30' ' ' MET . 5.4 t70 -83.75 96.16 8.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.728 0.264 . . . . 0.0 111.615 -179.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.513 ' HA ' ' CG ' ' A' ' 30' ' ' MET . 3.0 t80 -42.71 -44.61 4.4 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.639 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.82 -41.73 91.3 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.913 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.3 mtm-85 -77.91 -51.71 10.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.692 0.282 . . . . 0.0 111.309 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.513 ' CG ' ' HA ' ' A' ' 27' ' ' PHE . 13.9 ptp -59.23 -40.96 87.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.93 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -67.68 -32.81 73.73 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.916 0.389 . . . . 0.0 110.208 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -34.34 71.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.004 179.122 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.432 ' CB ' ' HB2' ' A' ' 19' ' ' LEU . . . -78.43 -46.4 19.9 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.526 179.345 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.43 ' CE2' ' CB ' ' A' ' 59' ' ' TRP . 4.8 t80 -54.59 -47.9 72.78 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.341 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -61.44 -40.97 96.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.731 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -76.42 -23.22 53.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.02 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.522 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 1.4 mp0 -89.78 -22.86 21.93 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.904 0.383 . . . . 0.0 110.837 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 83.0 p -71.35 -29.18 64.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.877 0.37 . . . . 0.0 110.247 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.98 -32.57 74.13 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.093 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.8 pp -89.32 -16.86 30.1 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.703 0.287 . . . . 0.0 111.006 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.5 mt -94.33 0.93 55.88 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 120.87 0.367 . . . . 0.0 110.958 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.528 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 19.1 t-80 -88.48 142.43 31.2 Favored Pre-proline 0 CA--C 1.532 0.269 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.225 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.528 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 30.8 Cg_endo -64.94 -5.87 11.6 Favored 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 122.702 2.268 . . . . 0.0 113.638 -179.088 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -88.95 -21.58 23.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.767 0.318 . . . . 0.0 110.866 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -109.58 29.36 7.65 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.651 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.66 41.43 64.69 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.492 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -115.79 163.51 12.31 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.554 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.12 146.3 24.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.85 0.357 . . . . 0.0 110.999 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.409 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -78.62 -21.65 48.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.214 -179.469 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.423 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -74.32 -27.15 60.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.859 0.361 . . . . 0.0 111.12 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.9 mp -78.34 -51.22 10.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.933 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -40.29 71.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.342 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 54' ' ' GLU . 10.1 pt20 -74.23 -36.13 63.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.232 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -62.84 -50.75 69.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.909 0.385 . . . . 0.0 110.889 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.43 HD23 ' CE2' ' A' ' 34' ' ' TYR . 17.3 tp -62.57 -37.83 87.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.942 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.93 -37.28 79.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.774 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.11 -30.2 68.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.831 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.486 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 0.9 OUTLIER -86.01 -26.63 25.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.026 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.584 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 69.9 t-105 -90.13 -19.15 24.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.278 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.13 -62.66 2.56 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.918 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.579 ' CG2' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -54.46 -49.82 69.17 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 178.919 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.53 ' N ' ' CG2' ' A' ' 61' ' ' THR . 6.5 t80 -44.41 -54.26 6.06 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 113.497 -1.683 . . . . 0.0 109.111 177.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.584 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 1.4 ttmt -54.37 -44.66 72.41 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.311 -1.313 . . . . 0.0 110.745 178.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.417 ' HB ' ' O ' ' A' ' 61' ' ' THR . 87.3 m -49.91 -35.28 23.2 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 178.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -85.37 -30.12 23.89 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.694 178.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.549 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 58.1 t . . . . . 0 N--CA 1.455 -0.202 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.274 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.819 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.1 pt? . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.01 0.433 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.3 p -90.11 -172.79 3.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.598 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.412 ' HG2' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -59.28 -31.27 68.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.151 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.412 ' N ' ' HG2' ' A' ' 7' ' ' ARG . . . -71.5 -37.76 71.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.273 -179.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.819 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 92.8 m-20 -66.63 -59.35 3.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.187 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.524 ' N ' HD13 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -59.55 -38.4 80.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.913 0.387 . . . . 0.0 110.256 -179.896 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -64.02 -40.82 97.18 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.976 178.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -39.25 80.35 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.363 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.448 ' HB2' ' HB3' ' A' ' 58' ' ' LEU . 2.9 tp -63.16 -33.47 75.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.297 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.7 mt -69.31 -38.84 78.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.067 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -55.59 -46.44 77.28 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.004 0.431 . . . . 0.0 110.542 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.482 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 5.0 mt -76.12 -15.96 59.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.929 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.423 HD12 ' HB2' ' A' ' 34' ' ' TYR . 2.0 mm? -90.36 -9.55 47.27 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.39 20.25 1.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.319 0.581 . . . . 0.0 110.001 -178.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.49 ' CD1' HD21 ' A' ' 23' ' ' LEU . 3.3 tt -110.49 110.61 57.75 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.947 -179.067 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.503 ' O ' HD12 ' A' ' 23' ' ' LEU . 88.8 Cg_exo -46.38 167.05 0.07 OUTLIER 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.689 2.259 . . . . 0.0 113.313 -178.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.97 -3.34 58.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.101 179.393 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -78.1 -33.28 50.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.036 0.446 . . . . 0.0 110.995 -179.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.503 HD12 ' O ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -102.69 11.7 37.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.267 179.903 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.466 ' CH2' ' HB2' ' A' ' 10' ' ' LYS . 43.9 t-105 -55.68 92.5 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.085 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 167.25 -31.73 0.19 Allowed Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.524 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -73.76 94.91 2.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.697 0.284 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.493 ' HA ' ' HG2' ' A' ' 30' ' ' MET . 71.1 t80 -52.56 -31.43 35.85 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.536 -179.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.15 -38.23 82.72 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.774 -0.727 . . . . 0.0 113.275 -179.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 60.1 mtt-85 -80.3 -37.17 33.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.745 0.272 . . . . 0.0 111.718 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.493 ' HG2' ' HA ' ' A' ' 27' ' ' PHE . 10.3 ptp -65.11 -47.61 76.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.584 0.231 . . . . 0.0 110.814 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.416 ' N ' ' HG3' ' A' ' 30' ' ' MET . 24.1 tt0 -63.13 -38.35 90.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.896 0.379 . . . . 0.0 110.734 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -58.98 -31.91 69.18 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.378 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.41 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -82.6 -40.28 21.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.836 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.446 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 12.6 t80 -57.07 -48.83 77.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.605 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 35.2 mtpt -64.86 -40.56 95.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.817 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -60.52 -48.46 81.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.747 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.482 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 28.9 mm100 -79.78 -18.14 51.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.142 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.1 -29.99 68.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.994 0.426 . . . . 0.0 110.0 179.12 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.35 -41.39 80.76 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.752 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -79.64 -10.56 59.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.124 179.835 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.447 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 7.5 mt -95.31 -1.71 50.78 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 120.651 0.263 . . . . 0.0 111.355 179.46 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.557 ' HD2' ' HB2' ' A' ' 44' ' ' ASP . 20.5 t60 -79.91 142.21 55.97 Favored Pre-proline 0 CA--C 1.53 0.195 0 CA-C-N 116.543 -0.298 . . . . 0.0 110.507 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 18.2 Cg_endo -61.95 -12.36 25.63 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.753 2.302 . . . . 0.0 113.932 -178.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.557 ' HB2' ' HD2' ' A' ' 42' ' ' HIS . 1.3 m-20 -88.46 -23.07 23.36 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.992 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -103.71 27.65 7.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.771 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 75.66 26.73 64.51 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.654 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -89.32 160.43 29.35 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.375 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.04 156.25 18.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.747 0.308 . . . . 0.0 110.862 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.414 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 12.2 m170 -83.12 -40.67 19.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.959 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.95 -28.56 67.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.242 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.447 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 7.5 mt -75.05 -51.51 13.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.057 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.498 ' O ' ' HB2' ' A' ' 56' ' ' ASN . 8.3 tpt -50.77 -27.69 7.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.376 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 4.2 mm-40 -83.03 -36.53 24.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.799 0.333 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -58.93 -54.81 42.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.067 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.446 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 16.1 tp -65.8 -38.9 90.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.182 -179.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.498 ' HB2' ' O ' ' A' ' 52' ' ' MET . 1.9 t-20 -63.6 -44.88 92.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.911 0.386 . . . . 0.0 110.812 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.84 -27.64 66.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.739 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.555 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 10.9 mt -80.82 -28.48 36.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.087 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.518 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 69.5 t-105 -87.03 -24.24 24.7 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.417 ' HA2' ' NZ ' ' A' ' 63' ' ' LYS . . . -69.91 -64.85 2.75 Favored Glycine 0 C--N 1.334 0.437 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.287 179.162 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.778 HG22 ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -52.18 -46.58 65.59 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 179.169 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.778 ' N ' HG22 ' A' ' 61' ' ' THR . 2.7 t80 -49.88 -51.98 36.34 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 113.195 -1.821 . . . . 0.0 109.4 177.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.58 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 0.3 OUTLIER -52.08 -41.01 62.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.3 -1.318 . . . . 0.0 110.988 179.636 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 61' ' ' THR . 85.6 m -50.45 -37.71 39.67 Favored 'General case' 0 CA--C 1.522 -0.126 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -84.08 -31.27 25.41 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.391 178.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.58 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 53.9 t . . . . . 0 N--CA 1.455 -0.218 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.573 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.812 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.1 pt? . . . . . 0 N--CA 1.462 0.135 0 CA-C-O 120.947 0.404 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.0 p -89.33 -174.66 4.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.071 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -56.94 -36.75 70.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.182 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.0 -37.81 88.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.812 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 26.0 m-20 -69.15 -58.1 4.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.486 ' N ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -57.92 -39.74 78.71 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.764 0.316 . . . . 0.0 110.574 -179.656 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.427 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 2.0 mm-40 -61.55 -42.22 98.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.383 179.349 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -70.37 -29.08 65.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.252 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.1 tp -69.7 -34.01 73.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.073 179.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.401 ' CD2' HD21 ' A' ' 19' ' ' LEU . 15.4 mt -74.78 -41.4 60.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.828 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -56.14 -37.64 69.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.692 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.429 ' N ' HD21 ' A' ' 16' ' ' LEU . 3.4 mm? -85.63 -19.27 31.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.527 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.457 HD13 ' N ' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -88.03 -8.04 56.16 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.711 -179.63 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.8 mptt 54.15 19.7 2.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.245 0.545 . . . . 0.0 110.07 -178.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.486 ' CD1' HD21 ' A' ' 23' ' ' LEU . 3.4 tt -108.96 108.83 60.91 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.879 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.48 ' O ' HD12 ' A' ' 23' ' ' LEU . 77.6 Cg_exo -49.43 169.69 0.11 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.692 2.261 . . . . 0.0 113.188 -178.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -89.64 -3.38 58.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.858 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -76.31 -32.03 58.49 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.486 HD21 ' CD1' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -107.83 14.64 25.25 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.107 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.483 ' CH2' ' HB2' ' A' ' 10' ' ' LYS . 46.6 t-105 -57.6 97.75 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.013 179.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 159.03 -26.01 0.36 Allowed Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.51 -0.853 . . . . 0.0 112.985 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -79.57 100.63 7.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.731 0.3 . . . . 0.0 111.03 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.468 ' CD1' HG13 ' A' ' 66' ' ' VAL . 28.4 t80 -52.98 -42.96 66.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.619 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.15 -32.31 71.22 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.849 -0.691 . . . . 0.0 113.268 -179.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.4 mtt180 -83.06 -47.03 12.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.776 0.288 . . . . 0.0 111.724 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.416 ' CG ' ' HA ' ' A' ' 27' ' ' PHE . 13.4 ptp -58.96 -40.35 84.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.626 0.251 . . . . 0.0 110.886 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -71.27 -36.41 71.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.795 0.331 . . . . 0.0 110.325 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -63.36 -34.4 77.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.246 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.19 -39.62 25.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.685 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.457 ' N ' HD13 ' A' ' 17' ' ' LEU . 13.6 t80 -53.73 -44.3 69.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.527 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -72.32 -38.45 68.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.398 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -37.6 81.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.709 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 -88.8 -20.27 24.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.6 m -68.0 -29.52 68.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.708 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.1 mt -72.32 -33.68 67.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.983 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.9 pp -85.44 -17.04 37.75 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.958 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 32.8 mt -95.18 -4.23 46.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.252 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -79.39 123.72 84.36 Favored Pre-proline 0 N--CA 1.455 -0.187 0 CA-C-O 120.746 0.307 . . . . 0.0 110.448 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo -43.74 -27.6 1.61 Allowed 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.972 2.448 . . . . 0.0 113.551 -179.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.99 -12.18 60.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.627 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt -118.43 28.86 8.08 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.805 0.336 . . . . 0.0 110.866 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.85 16.58 79.3 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.809 -0.71 . . . . 0.0 113.01 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -87.11 163.29 34.41 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.385 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.58 152.79 21.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.904 0.383 . . . . 0.0 110.744 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -78.97 -41.96 27.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.821 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.02 -34.61 70.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.571 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.0 mp -71.87 -53.25 13.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.925 0.393 . . . . 0.0 111.04 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 10.4 tpt -56.3 -45.74 80.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.415 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -67.31 -26.85 66.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.71 0.291 . . . . 0.0 111.216 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.91 -54.48 21.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.369 . . . . 0.0 110.75 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.3 tp -56.7 -40.2 75.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.991 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -58.09 -33.04 68.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.798 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.69 -31.32 41.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.788 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.595 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 14.6 mt -80.89 -29.67 35.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.779 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.591 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 70.3 t-105 -88.8 -20.88 24.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.01 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.15 -64.12 2.62 Favored Glycine 0 C--N 1.335 0.479 0 C-N-CA 121.041 -0.599 . . . . 0.0 111.892 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.675 HG22 HD21 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -53.39 -50.9 64.16 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 179.001 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.536 ' N ' HG22 ' A' ' 61' ' ' THR . 4.7 t80 -45.32 -49.62 12.66 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 113.407 -1.724 . . . . 0.0 109.738 177.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.591 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 1.9 ttmt -55.2 -36.03 65.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.363 -1.29 . . . . 0.0 111.066 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 41.0 m -47.45 -39.4 15.66 Favored 'General case' 0 CA--C 1.522 -0.107 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -85.25 -30.63 23.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.955 178.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.585 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 69.1 t . . . . . 0 C--O 1.23 0.066 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.151 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.797 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.6 pt? . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.944 0.402 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.6 p -90.18 -174.67 4.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.22 -179.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.431 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -57.46 -33.95 68.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.955 179.862 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.23 -46.81 72.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.526 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.797 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 50.1 m-20 -58.12 -59.38 5.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.015 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.569 ' N ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -52.2 -39.85 60.72 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.09 0.472 . . . . 0.0 110.112 179.813 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 2.3 mt-10 -65.13 -38.95 92.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.579 178.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -70.76 -31.21 67.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.6 179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.6 tp -72.98 -31.26 64.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.531 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.458 HD21 ' O ' ' A' ' 19' ' ' LEU . 11.7 mt -74.79 -41.33 60.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.299 -179.726 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -61.7 -38.85 89.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.401 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 1.3 mt -82.02 -18.6 42.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.276 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.46 HD13 ' N ' ' A' ' 34' ' ' TYR . 1.9 mm? -88.9 -5.3 58.09 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.0 18.52 2.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.232 0.539 . . . . 0.0 110.253 -178.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.526 ' HG ' ' CG ' ' A' ' 23' ' ' LEU . 1.8 tt -106.11 110.79 64.3 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.285 -179.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.566 ' N ' HD21 ' A' ' 23' ' ' LEU . 46.1 Cg_exo -46.7 -176.4 0.0 OUTLIER 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.987 2.458 . . . . 0.0 112.892 -179.68 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -90.5 -35.02 15.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.996 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -51.91 -33.97 39.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.585 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.566 HD21 ' N ' ' A' ' 20' ' ' PRO . 1.4 pt? -102.19 12.94 35.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.194 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 46.7 t-105 -53.65 92.63 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.786 0.327 . . . . 0.0 110.773 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 144.91 -23.93 1.94 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.43 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.42 ' O ' ' HG2' ' A' ' 30' ' ' MET . 27.0 t0 -57.28 97.51 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.691 0.282 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.416 ' HA ' ' SD ' ' A' ' 30' ' ' MET . 15.9 t80 -56.11 -46.56 79.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.741 -179.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.31 -38.68 96.82 Favored Glycine 0 CA--C 1.52 0.372 0 C-N-CA 120.826 -0.702 . . . . 0.0 113.324 -179.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.17 -38.76 26.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.89 0.345 . . . . 0.0 111.919 -179.162 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.42 ' HG2' ' O ' ' A' ' 26' ' ' ASP . 7.0 ptp -64.73 -47.28 78.84 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 121.044 -0.263 . . . . 0.0 111.02 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -62.27 -42.37 99.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.766 0.317 . . . . 0.0 110.395 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.9 -38.43 75.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.051 0.453 . . . . 0.0 110.159 179.329 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.51 -44.61 50.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.138 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.476 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 7.8 t80 -55.38 -45.72 76.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.297 179.351 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -65.15 -28.64 69.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.877 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -46.59 44.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.234 -179.713 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.421 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 4.7 mm-40 -82.04 -21.58 36.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.543 -179.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 91.9 p -73.6 -29.46 62.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.884 0.373 . . . . 0.0 110.762 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.2 mt -74.09 -36.14 64.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.066 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.421 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 3.7 pp -84.87 -14.95 46.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.11 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.1 mt -94.49 13.92 22.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.748 0.308 . . . . 0.0 110.964 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.416 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 18.0 t-80 -90.03 137.71 27.93 Favored Pre-proline 0 N--CA 1.454 -0.256 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.927 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -47.81 -24.76 5.24 Favored 'Trans proline' 0 CA--C 1.529 0.242 0 C-N-CA 122.829 2.353 . . . . 0.0 112.778 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -88.0 -25.02 23.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.64 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.416 ' HD3' ' HB3' ' A' ' 42' ' ' HIS . 1.7 mptp? -103.76 31.16 4.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.803 0.335 . . . . 0.0 111.078 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.8 46.72 65.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.467 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -116.1 159.08 14.05 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.486 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.22 161.22 15.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.864 0.364 . . . . 0.0 110.889 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -83.03 -48.66 10.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.768 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.96 -26.67 64.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.189 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.44 -52.74 6.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.025 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 8.0 tpt -51.19 -43.57 61.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.907 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.66 -33.51 72.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.532 179.667 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -64.45 -50.84 65.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.553 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.476 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 11.7 tp -66.56 -38.2 86.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.523 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -64.4 -50.16 68.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.008 0.432 . . . . 0.0 110.514 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 m -67.57 -27.15 66.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.686 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.612 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 14.1 mt -78.5 -26.91 46.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.51 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 66.5 t-105 -90.4 -27.42 19.33 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.0 -61.53 3.71 Favored Glycine 0 C--N 1.335 0.483 0 C-N-CA 120.977 -0.63 . . . . 0.0 111.771 179.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.643 HG22 HD21 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -51.43 -50.5 59.59 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 178.721 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.561 ' N ' ' CG2' ' A' ' 61' ' ' THR . 1.3 t80 -45.65 -53.07 9.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 113.245 -1.798 . . . . 0.0 109.066 177.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.566 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -57.31 -38.61 74.3 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 113.921 -1.49 . . . . 0.0 110.961 179.468 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.96 -36.4 27.93 Favored 'General case' 0 CA--C 1.522 -0.123 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 178.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -85.39 -29.27 24.56 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.373 178.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.566 ' HB ' ' HA ' ' A' ' 63' ' ' LYS . 54.0 t . . . . . 0 N--CA 1.456 -0.166 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.86 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.767 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 121.134 0.492 . . . . 0.0 111.602 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.9 p -90.05 -174.96 4.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.866 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.7 ttm-85 -60.43 -28.93 68.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.82 -27.33 57.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.677 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.767 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 5.1 m-20 -88.87 -47.98 7.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.749 -0.205 . . . . 0.0 111.257 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 11' ' ' GLU . 0.6 OUTLIER -59.35 -34.74 72.75 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.939 0.399 . . . . 0.0 110.294 179.71 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.431 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 19.5 pt-20 -69.65 -32.82 71.71 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.0 ttt85 -63.37 -31.81 73.06 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.828 178.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.437 HD22 ' CD2' ' A' ' 62' ' ' PHE . 1.7 tp -69.85 -32.9 71.53 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.734 178.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.444 ' CD2' HD22 ' A' ' 19' ' ' LEU . 12.4 mt -67.56 -43.87 79.61 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.823 179.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -54.49 -54.07 45.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.758 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.452 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 7.3 mp -68.52 -16.68 63.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.911 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.439 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.9 OUTLIER -90.14 -2.73 58.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.987 -179.452 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 48.98 21.25 0.44 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.285 0.564 . . . . 0.0 110.055 -178.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.645 HD12 HD22 ' A' ' 23' ' ' LEU . 5.1 tt -111.82 110.05 54.86 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.605 -179.084 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.534 ' O ' HD12 ' A' ' 23' ' ' LEU . 79.8 Cg_exo -48.37 167.4 0.11 Allowed 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.519 2.146 . . . . 0.0 113.261 -178.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.28 -6.37 56.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.973 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -74.16 -34.51 63.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.128 0.489 . . . . 0.0 110.897 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.645 HD22 HD12 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -101.93 12.96 36.1 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.562 -179.77 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.406 ' CZ3' ' HG ' ' A' ' 14' ' ' LEU . 57.1 t-105 -52.08 109.6 0.39 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.478 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 143.31 -21.19 2.25 Favored Glycine 0 C--N 1.334 0.467 0 C-N-CA 120.873 -0.68 . . . . 0.0 113.254 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.493 ' O ' ' HG2' ' A' ' 30' ' ' MET . 13.1 t0 -78.77 92.28 4.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.645 0.26 . . . . 0.0 111.291 -179.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.408 ' CD1' ' CG1' ' A' ' 66' ' ' VAL . 14.5 t80 -48.53 -43.8 35.73 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.927 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.08 -33.59 87.64 Favored Glycine 0 CA--C 1.517 0.211 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.825 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.455 ' CZ ' ' HG ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -73.68 -49.97 23.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.731 0.301 . . . . 0.0 111.179 -179.819 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.52 ' HA ' HD11 ' A' ' 19' ' ' LEU . 12.5 ptp -60.77 -46.66 89.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.663 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -59.4 -42.1 90.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.799 0.333 . . . . 0.0 110.45 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.81 -41.6 82.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.567 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.403 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -76.67 -42.98 39.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.726 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.454 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 7.4 t80 -53.24 -45.61 68.82 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.194 179.403 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.424 ' HA ' ' OG ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -66.14 -33.66 76.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.774 179.815 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -67.51 -52.22 41.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.259 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.452 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 7.4 mm100 -74.89 -21.32 59.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.619 -179.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.424 ' OG ' ' HA ' ' A' ' 35' ' ' LYS . 80.8 p -71.69 -26.86 62.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.649 179.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.476 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 6.0 mt -79.21 -30.45 43.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.199 -179.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.8 pp -85.32 -17.07 37.94 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.114 -0.234 . . . . 0.0 111.359 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.3 mt -95.42 1.92 54.34 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -80.45 134.4 54.84 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 120.765 0.317 . . . . 0.0 110.338 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -46.69 -19.54 0.77 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.92 2.413 . . . . 0.0 113.344 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -81.76 -21.94 37.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.702 0.286 . . . . 0.0 111.264 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.476 ' HG3' ' O ' ' A' ' 39' ' ' LEU . 10.8 mmtt -116.57 31.1 6.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.814 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.0 88.16 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.636 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -158.13 164.8 33.51 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.503 -0.856 . . . . 0.0 112.59 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.06 148.23 23.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.868 0.366 . . . . 0.0 110.669 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.74 -42.38 41.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.664 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.53 -29.04 49.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.533 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.11 -50.79 12.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.062 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 7.0 tpt -57.67 -26.83 62.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.964 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -79.98 -34.42 38.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.708 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.414 ' HG2' ' CD1' ' A' ' 58' ' ' LEU . 2.3 tt0 -69.39 -50.42 46.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.454 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 8.8 tp -57.93 -49.0 78.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.091 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -61.49 -35.66 78.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.834 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.33 -40.83 50.34 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.44 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 5.7 mt -76.34 -24.0 54.25 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.748 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.583 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 62.3 t-105 -90.24 -18.04 26.38 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.16 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.405 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -78.31 -61.59 2.46 Favored Glycine 0 C--N 1.336 0.582 0 C-N-CA 121.008 -0.615 . . . . 0.0 111.88 179.167 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.549 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -55.71 -51.18 68.21 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 107.313 -1.366 . . . . 0.0 107.313 179.174 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.549 ' N ' ' CG2' ' A' ' 61' ' ' THR . 2.6 t80 -42.76 -54.8 3.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 113.805 -1.543 . . . . 0.0 109.303 177.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.583 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 1.1 ttmt -51.6 -44.12 62.75 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.03 -1.441 . . . . 0.0 111.584 179.333 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 68.7 m -47.31 -37.54 11.05 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-O 121.355 0.598 . . . . 0.0 109.701 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -85.44 -31.57 22.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.34 178.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.556 ' HB ' ' HA ' ' A' ' 63' ' ' LYS . 73.1 t . . . . . 0 N--CA 1.457 -0.118 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.999 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.764 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.0 pt? . . . . . 0 N--CA 1.464 0.252 0 CA-C-O 121.035 0.445 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.0 p -86.58 -174.53 5.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.498 -178.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.451 ' HG3' ' N ' ' A' ' 8' ' ' ALA . 18.1 ptt85 -58.33 -34.83 71.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.839 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.451 ' N ' ' HG3' ' A' ' 7' ' ' ARG . . . -65.99 -41.27 91.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.037 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.764 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -71.84 -53.41 13.35 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 120.834 0.35 . . . . 0.0 111.123 -179.805 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.613 ' N ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -62.28 -35.19 78.23 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.932 -179.184 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -65.62 -40.03 92.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.42 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.74 -31.25 70.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.004 179.265 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.4 tp -65.74 -29.45 69.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.122 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.428 ' HG ' ' CZ3' ' A' ' 24' ' ' TRP . 13.1 mt -76.06 -38.05 57.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.986 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.04 -52.0 64.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.842 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.458 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 1.3 mt -74.63 -12.11 60.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.14 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.451 HD23 ' N ' ' A' ' 17' ' ' LEU . 1.1 mm? -90.31 -10.0 45.76 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.44 19.69 2.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.29 0.567 . . . . 0.0 110.173 -178.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.474 ' CD1' HD23 ' A' ' 23' ' ' LEU . 2.6 tt -110.98 109.38 57.32 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.067 -179.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.499 ' O ' HD13 ' A' ' 23' ' ' LEU . 75.6 Cg_exo -47.04 168.3 0.06 OUTLIER 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.731 2.287 . . . . 0.0 113.365 -178.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -90.41 -3.39 57.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.115 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -78.27 -32.57 49.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.093 0.473 . . . . 0.0 110.791 -179.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.499 HD13 ' O ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -103.2 11.66 36.66 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.985 179.7 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.502 ' CH2' ' HB2' ' A' ' 10' ' ' LYS . 46.3 t-105 -56.02 104.27 0.13 Allowed 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.06 179.474 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.41 -29.67 0.7 Allowed Glycine 0 C--N 1.33 0.227 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.309 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.467 ' HB3' ' HB2' ' A' ' 29' ' ' ARG . 5.4 t0 -77.16 87.37 3.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.742 0.306 . . . . 0.0 110.957 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.484 ' CE1' ' CH2' ' A' ' 59' ' ' TRP . 50.1 t80 -45.49 -46.77 13.95 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.517 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.02 -32.46 62.66 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.755 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.467 ' HB2' ' HB3' ' A' ' 26' ' ' ASP . 5.5 ttt180 -78.59 -55.49 5.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.712 0.291 . . . . 0.0 111.079 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -49.57 76.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.137 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -56.35 -42.64 78.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.718 0.294 . . . . 0.0 110.783 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 -57.13 -39.9 76.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.318 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.03 -38.94 63.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.561 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.524 ' CE2' ' CB ' ' A' ' 59' ' ' TRP . 25.4 t80 -50.76 -45.69 59.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.846 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.51 -36.38 68.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.722 179.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -67.16 -35.95 80.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.016 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 23.9 mm100 -89.58 -21.65 22.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.231 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.3 m -69.12 -32.42 71.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.883 0.373 . . . . 0.0 110.609 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.0 mt -70.62 -37.28 73.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.192 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.7 pp -78.92 -12.06 60.02 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.132 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 24.2 mt -93.37 1.66 56.83 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.675 -0.239 . . . . 0.0 110.913 179.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.46 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 17.9 t-80 -89.97 141.48 28.1 Favored Pre-proline 0 C--N 1.333 -0.139 0 CA-C-O 120.764 0.316 . . . . 0.0 110.785 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.46 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 82.4 Cg_exo -45.4 -28.62 4.07 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 123.082 2.521 . . . . 0.0 113.6 -179.57 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.56 -19.75 55.18 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.0 mmtt -119.45 31.01 6.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.786 0.327 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 65.68 76.27 0.35 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.482 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -141.1 157.78 26.12 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.598 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.91 165.84 13.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.836 0.351 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 -81.27 -51.27 8.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.785 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.94 -27.18 68.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.45 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.1 mp -65.18 -51.8 58.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.177 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -26.26 67.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.367 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -78.97 -30.55 44.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.75 0.309 . . . . 0.0 111.1 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -71.72 -50.21 32.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.161 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.418 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 13.1 tp -65.18 -40.34 94.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.218 -179.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -62.11 -39.55 92.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.77 0.319 . . . . 0.0 110.685 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.89 -36.58 64.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.731 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.617 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 53.0 mt -72.62 -24.62 61.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.242 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.602 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 66.3 t-105 -90.27 -19.9 23.57 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.33 -58.98 2.99 Favored Glycine 0 C--N 1.334 0.435 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.517 179.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.643 HG21 ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -55.29 -50.18 70.22 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 107.254 -1.387 . . . . 0.0 107.254 178.653 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.741 ' O ' ' HG3' ' A' ' 65' ' ' GLU . 0.9 OUTLIER -45.77 -54.3 8.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 113.411 -1.722 . . . . 0.0 109.012 177.875 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.602 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 1.2 mtmt -58.1 -39.04 77.62 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.841 -1.072 . . . . 0.0 111.026 179.239 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.428 ' HB ' ' O ' ' A' ' 61' ' ' THR . 59.2 m -51.48 -40.03 58.68 Favored 'General case' 0 CA--C 1.521 -0.168 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.181 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.741 ' HG3' ' O ' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -85.14 -24.45 27.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.996 178.38 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.54 ' HB ' ' HA ' ' A' ' 63' ' ' LYS . 36.7 t . . . . . 0 N--CA 1.457 -0.087 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.593 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.755 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.0 pt? . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.891 0.376 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.1 p -86.08 -174.34 5.03 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.38 -179.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.436 ' HG3' ' N ' ' A' ' 8' ' ' ALA . 12.4 ptm180 -57.51 -36.34 71.42 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.82 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.436 ' N ' ' HG3' ' A' ' 7' ' ' ARG . . . -64.02 -41.41 97.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.717 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.755 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -63.62 -59.7 4.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.101 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.488 ' HD3' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -54.4 -34.39 61.2 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.219 0.533 . . . . 0.0 110.116 179.75 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.488 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 1.5 mm-40 -71.54 -40.37 70.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.402 178.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -44.96 89.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.711 178.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.452 ' HB2' ' HB3' ' A' ' 58' ' ' LEU . 1.9 tp -60.48 -29.99 69.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.159 179.256 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.433 ' CD2' HD22 ' A' ' 19' ' ' LEU . 15.3 mt -74.47 -39.51 62.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.221 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -55.26 -55.34 32.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.958 0.409 . . . . 0.0 110.583 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.453 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 7.2 mp -71.05 -14.83 62.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.965 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.444 HD13 ' HB1' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -90.19 -8.74 50.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.678 -179.62 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.51 20.67 2.15 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.359 0.6 . . . . 0.0 109.903 -178.43 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.583 HD12 ' HG3' ' A' ' 29' ' ' ARG . 3.7 tt -110.83 107.09 57.94 Favored Pre-proline 0 N--CA 1.449 -0.516 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.224 -179.088 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.529 ' O ' HD12 ' A' ' 23' ' ' LEU . 52.5 Cg_exo -51.45 166.7 0.46 Allowed 'Trans proline' 0 N--CA 1.464 -0.251 0 C-N-CA 122.4 2.067 . . . . 0.0 112.732 -179.419 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.06 -9.0 58.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.782 179.274 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -69.12 -36.17 77.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.105 -179.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.529 HD12 ' O ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -102.32 10.95 38.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.27 179.719 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.477 ' CH2' ' HB2' ' A' ' 10' ' ' LYS . 62.8 t-105 -52.83 110.19 0.49 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.191 179.407 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 142.89 -24.11 2.28 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.871 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -80.24 101.47 8.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.69 0.281 . . . . 0.0 111.049 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.456 ' CD1' HG11 ' A' ' 66' ' ' VAL . 24.9 t80 -53.5 -51.83 61.56 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.179 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -54.75 -28.97 48.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.579 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.583 ' HG3' HD12 ' A' ' 19' ' ' LEU . 19.7 tpp180 -80.95 -54.71 5.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.665 0.269 . . . . 0.0 111.058 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.464 ' HA ' HD13 ' A' ' 19' ' ' LEU . 8.2 ptp -56.17 -45.77 79.57 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.122 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -63.61 -37.83 88.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.705 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.441 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -58.41 -45.27 88.73 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.708 179.672 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.444 ' HB1' HD13 ' A' ' 17' ' ' LEU . . . -76.71 -40.89 47.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.97 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.434 ' CE2' ' CB ' ' A' ' 59' ' ' TRP . 10.9 t80 -52.69 -45.86 67.01 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.89 0.376 . . . . 0.0 110.424 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.89 -34.96 72.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.724 179.649 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -66.24 -40.86 90.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.782 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 20.3 mm100 -83.13 -23.11 33.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.29 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 79.3 p -73.74 -32.46 63.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.875 0.369 . . . . 0.0 110.261 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.521 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 12.1 mt -70.83 -29.63 65.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.913 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.434 HD11 ' HG ' ' A' ' 41' ' ' LEU . 3.1 pp -89.92 -15.35 32.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.009 179.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.434 ' HG ' HD11 ' A' ' 40' ' ' LEU . 31.3 mt -95.17 -4.17 46.5 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.195 179.262 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.512 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 2.5 t-160 -67.38 126.95 93.28 Favored Pre-proline 0 CA--C 1.532 0.254 0 CA-C-N 116.673 -0.24 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.512 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 82.3 Cg_exo -44.05 -33.41 5.54 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.885 2.39 . . . . 0.0 113.346 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.54 -10.93 60.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.546 -179.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.521 ' HG3' ' O ' ' A' ' 39' ' ' LEU . 17.1 mmtt -113.17 31.12 6.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.893 0.377 . . . . 0.0 111.128 -179.495 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 65.47 19.54 66.83 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.791 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -92.6 170.24 32.2 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.523 -0.846 . . . . 0.0 112.566 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.08 137.12 32.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.817 0.341 . . . . 0.0 110.958 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -74.45 -33.66 62.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.59 -21.1 66.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.281 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.31 -50.58 6.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.011 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.8 tpt -57.18 -29.31 63.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.271 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.96 -32.22 39.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.935 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.04 -44.83 68.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.952 0.406 . . . . 0.0 110.387 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.2 tp -60.95 -42.8 98.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.822 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.22 -29.91 70.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.653 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.5 m -76.51 -36.24 57.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.777 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.627 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 16.6 mt -79.44 -22.31 44.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.533 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 64.1 t-105 -90.28 -21.98 21.81 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.63 -64.47 2.58 Favored Glycine 0 C--N 1.335 0.486 0 C-N-CA 121.037 -0.601 . . . . 0.0 111.749 179.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.549 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -53.41 -51.69 61.79 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.052 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.549 ' N ' ' CG2' ' A' ' 61' ' ' THR . 1.7 t80 -43.42 -48.97 7.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 113.869 -1.514 . . . . 0.0 109.232 177.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.602 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 0.4 OUTLIER -53.86 -40.99 67.02 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 113.917 -1.492 . . . . 0.0 111.248 179.479 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 93.7 m -47.87 -37.27 13.65 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -85.34 -32.04 22.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.59 178.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.602 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 78.2 t . . . . . 0 C--N 1.332 -0.166 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.951 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.655 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 121.105 0.479 . . . . 0.0 111.776 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.8 p -89.97 -174.32 4.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.796 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.403 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 23.8 tpt180 -55.06 -41.15 71.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.347 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.6 -33.44 72.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.607 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.655 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 12.0 m-20 -78.04 -54.22 6.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.975 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.44 -33.84 68.35 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.019 0.437 . . . . 0.0 110.068 179.344 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 2.2 mm-40 -69.07 -34.56 75.34 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 178.481 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -35.28 78.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.776 179.034 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.445 ' HB2' ' HB3' ' A' ' 58' ' ' LEU . 2.7 tp -64.2 -36.35 83.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.884 179.171 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.47 ' HG ' ' CZ3' ' A' ' 24' ' ' TRP . 11.5 mt -63.21 -40.38 97.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.93 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -57.75 -55.56 33.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.711 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.483 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 1.2 mt -65.35 -15.25 62.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 179.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' ' 34' ' ' TYR . 0.9 OUTLIER -90.15 -10.71 43.51 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -179.536 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.22 19.35 2.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.405 0.621 . . . . 0.0 110.151 -178.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.557 ' CD1' HD23 ' A' ' 23' ' ' LEU . 3.4 tt -110.47 110.99 57.66 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 115.21 -0.904 . . . . 0.0 109.801 -179.329 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.504 ' O ' HD11 ' A' ' 23' ' ' LEU . 86.7 Cg_exo -45.53 167.6 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.871 2.381 . . . . 0.0 113.567 -178.596 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.7 mtt180 -90.16 -3.78 57.67 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.215 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -79.79 -30.34 40.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.955 0.407 . . . . 0.0 111.394 -178.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.557 HD23 ' CD1' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -103.77 11.7 35.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.324 -179.868 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.47 ' CZ3' ' HG ' ' A' ' 14' ' ' LEU . 31.0 t-105 -56.47 97.4 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.907 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 161.32 -28.85 0.3 Allowed Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.687 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -81.28 94.66 6.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.68 0.276 . . . . 0.0 111.123 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.445 ' HA ' ' CG ' ' A' ' 30' ' ' MET . 30.3 t80 -47.93 -35.6 10.94 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.306 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.539 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -64.55 -37.05 93.91 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.838 -0.696 . . . . 0.0 113.03 -179.49 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -80.33 -43.36 21.33 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -179.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.445 ' CG ' ' HA ' ' A' ' 27' ' ' PHE . 12.6 ptp -64.99 -48.62 73.34 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 121.22 -0.192 . . . . 0.0 111.446 -179.432 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -64.3 -34.4 78.05 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.829 -0.349 . . . . 0.0 110.181 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.539 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.6 OUTLIER -59.25 -50.09 75.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.093 0.473 . . . . 0.0 109.903 179.194 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.31 -42.62 96.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.65 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.467 ' CE2' ' CB ' ' A' ' 59' ' ' TRP . 12.3 t80 -50.64 -42.25 56.15 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.827 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -67.73 -41.87 82.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.729 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -60.94 -34.81 75.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.637 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.483 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 64.7 mm-40 -88.69 -20.89 24.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.275 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.6 -27.96 63.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.873 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 69.5 mt -83.91 -26.93 28.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.463 -179.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.427 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 4.5 pp -90.03 -19.59 24.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.76 0.314 . . . . 0.0 110.915 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.6 mt -90.69 9.95 27.77 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.982 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.527 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 24.6 t-80 -88.42 142.55 31.41 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.049 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.527 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 25.4 Cg_endo -63.04 -8.94 15.21 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.499 2.132 . . . . 0.0 113.198 -179.28 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -92.26 -24.91 18.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.77 0.319 . . . . 0.0 110.641 179.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.416 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -105.2 30.63 5.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.766 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.21 72.37 0.68 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.516 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -152.39 173.24 31.52 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.452 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.13 145.23 25.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.82 0.343 . . . . 0.0 110.988 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.6 p-80 -82.54 -40.15 21.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.407 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -58.67 -19.02 35.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.472 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.7 mt -82.68 -48.38 10.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.829 0.347 . . . . 0.0 111.012 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -32.54 50.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.057 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.429 ' O ' ' OG ' ' A' ' 57' ' ' SER . 0.0 OUTLIER -84.49 -31.74 24.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.591 179.646 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 1.0 OUTLIER -70.07 -43.01 72.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.938 0.399 . . . . 0.0 110.784 179.614 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.0 tp -70.11 -39.46 75.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.699 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -60.32 -34.78 74.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.6 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 53' ' ' GLN . 0.8 OUTLIER -69.93 -28.21 65.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 179.888 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.499 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 1.9 mt -86.74 -28.92 22.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.091 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.608 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 69.4 t-105 -89.72 -18.38 26.5 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.4 -64.56 2.25 Favored Glycine 0 C--N 1.335 0.507 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.995 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.54 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -53.16 -49.7 66.1 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 179.054 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.54 ' N ' ' CG2' ' A' ' 61' ' ' THR . 5.5 t80 -44.43 -52.51 7.75 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 113.473 -1.694 . . . . 0.0 109.183 177.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.608 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 0.9 OUTLIER -56.9 -42.44 79.91 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.476 -1.238 . . . . 0.0 111.045 179.079 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' A' ' 61' ' ' THR . 87.0 m -49.07 -36.5 18.61 Favored 'General case' 0 CA--C 1.521 -0.155 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.051 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -85.44 -30.2 23.73 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.459 178.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.575 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 70.5 t . . . . . 0 N--CA 1.456 -0.14 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.162 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.749 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 1.5 pt? . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.953 0.406 . . . . 0.0 110.829 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 p -84.71 -177.25 6.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.547 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.0 ptt180 -55.64 -35.02 65.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.08 -36.92 83.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.749 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 8.6 m-20 -68.55 -57.4 5.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.508 ' N ' HD11 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -58.3 -39.29 78.94 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.011 0.434 . . . . 0.0 110.195 -179.904 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -67.26 -36.24 81.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.488 178.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.403 ' HD2' ' CD1' ' A' ' 58' ' ' LEU . 14.8 ttm180 -68.03 -33.74 75.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.711 178.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.422 ' HB2' ' HB3' ' A' ' 58' ' ' LEU . 2.9 tp -64.89 -34.72 79.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.686 178.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.415 ' HG ' ' CZ3' ' A' ' 24' ' ' TRP . 12.1 mt -65.17 -41.13 94.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -57.84 -43.74 86.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.47 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.417 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 7.1 mp -80.15 -13.87 58.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.85 179.528 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.412 ' N ' HD21 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -90.25 -9.16 49.02 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.772 -179.628 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.78 19.07 3.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.303 0.573 . . . . 0.0 109.956 -178.444 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.495 ' CD1' HD21 ' A' ' 23' ' ' LEU . 3.2 tt -112.15 110.82 53.5 Favored Pre-proline 0 N--CA 1.449 -0.489 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.804 -179.197 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.526 ' O ' HD13 ' A' ' 23' ' ' LEU . 75.2 Cg_exo -47.02 166.85 0.08 OUTLIER 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.572 2.181 . . . . 0.0 112.997 -179.001 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.18 -2.98 58.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.422 179.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.94 -28.35 35.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.788 0.328 . . . . 0.0 111.185 -179.26 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.526 HD13 ' O ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -105.1 11.48 33.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.229 179.92 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.469 ' CH2' ' HB2' ' A' ' 10' ' ' LYS . 44.0 t-105 -55.63 96.47 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.996 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 162.29 -28.98 0.27 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.627 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.423 ' HB3' ' HB2' ' A' ' 29' ' ' ARG . 5.3 t0 -78.57 94.88 5.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.825 0.345 . . . . 0.0 110.919 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.447 ' HA ' ' HG2' ' A' ' 30' ' ' MET . 44.6 t80 -49.51 -39.85 35.65 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.722 -179.583 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.15 -32.58 82.97 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.814 -0.707 . . . . 0.0 113.391 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.423 ' HB2' ' HB3' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -82.36 -46.46 13.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.725 0.263 . . . . 0.0 111.663 -179.35 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.447 ' HG2' ' HA ' ' A' ' 27' ' ' PHE . 14.5 ptp -58.05 -46.49 85.29 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.599 0.238 . . . . 0.0 110.863 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -62.01 -43.86 97.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.855 0.36 . . . . 0.0 110.182 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -59.45 -32.98 70.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.999 179.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.9 -42.78 26.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.316 179.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.439 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 13.4 t80 -53.2 -47.69 68.7 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.465 179.448 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.61 -37.33 68.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.54 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.4 -35.65 72.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.431 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 82.6 mm-40 -90.13 -20.95 22.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.022 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.0 m -69.25 -28.42 66.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.397 179.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.0 mt -73.93 -32.09 63.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.052 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.402 ' CD1' ' HG ' ' A' ' 41' ' ' LEU . 2.7 pp -87.67 -15.89 35.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.425 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.585 HD22 ' HB3' ' A' ' 51' ' ' LEU . 20.1 mt -95.15 3.14 55.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.403 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.513 ' HD1' ' HB2' ' A' ' 44' ' ' ASP . 19.5 t-80 -76.93 130.03 77.01 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-O 120.806 0.336 . . . . 0.0 111.006 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_exo -43.82 -38.7 9.99 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.225 2.616 . . . . 0.0 113.875 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.513 ' HB2' ' HD1' ' A' ' 42' ' ' HIS . 0.2 OUTLIER -61.18 -13.73 20.16 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 -179.195 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.7 mmtm -103.75 31.0 4.69 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.832 0.349 . . . . 0.0 110.937 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 61.74 17.52 54.44 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.856 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -93.46 179.48 38.94 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.398 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.404 ' HB3' HD11 ' A' ' 51' ' ' LEU . 0.7 OUTLIER -90.03 145.78 24.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.789 0.328 . . . . 0.0 110.913 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -83.32 -35.29 25.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.934 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.36 -32.56 74.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.095 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.585 ' HB3' HD22 ' A' ' 41' ' ' LEU . 6.1 mp -59.89 -56.49 21.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.68 -31.55 64.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -64.18 -29.58 70.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.81 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -43.01 35.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.439 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 7.7 tp -55.66 -46.44 77.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.992 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -59.23 -31.08 68.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.7 m -77.35 -53.23 7.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.933 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.573 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 11.1 mt -62.39 -28.34 69.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.059 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.509 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 63.2 t-105 -90.1 -24.57 21.08 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 179.507 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.446 ' HA2' ' NZ ' ' A' ' 63' ' ' LYS . . . -69.47 -65.85 2.44 Favored Glycine 0 C--N 1.335 0.508 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.962 179.217 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.59 ' CG2' HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -50.5 -50.15 53.63 Favored 'General case' 0 CA--C 1.513 -0.475 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 178.765 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.537 ' N ' ' CG2' ' A' ' 61' ' ' THR . 7.5 t80 -45.65 -51.35 12.39 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 113.348 -1.751 . . . . 0.0 109.359 177.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.553 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 0.2 OUTLIER -55.85 -39.05 70.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.307 -1.315 . . . . 0.0 111.333 179.747 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.423 ' HB ' ' O ' ' A' ' 61' ' ' THR . 89.0 m -47.32 -38.69 13.22 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 121.395 0.617 . . . . 0.0 109.481 179.402 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -85.72 -31.56 22.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.859 178.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.553 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 62.9 t . . . . . 0 C--O 1.23 0.066 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.049 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.798 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.5 pt? . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.868 0.366 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 p -85.4 -174.07 5.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.403 -179.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.9 mtt180 -57.54 -38.57 74.93 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.689 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.03 -40.81 98.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.111 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.798 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 4.6 m-20 -64.81 -59.09 4.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.851 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.439 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -57.44 -37.9 73.57 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.985 0.422 . . . . 0.0 110.367 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -64.9 -38.11 89.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.275 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 -75.19 -34.02 61.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.141 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.408 HD23 ' CD2' ' A' ' 62' ' ' PHE . 2.3 tp -62.95 -35.0 78.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.137 179.307 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.416 HD12 ' CE3' ' A' ' 24' ' ' TRP . 25.4 mt -71.62 -41.54 68.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.863 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -57.04 -28.96 62.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.796 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.2 mt -89.51 -24.32 21.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.09 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.402 HD13 ' CD1' ' A' ' 55' ' ' LEU . 8.6 mp -87.51 -2.51 58.66 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.45 19.79 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.299 0.571 . . . . 0.0 109.902 -178.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.482 ' CD1' HD23 ' A' ' 23' ' ' LEU . 3.0 tt -109.87 109.49 59.32 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.98 -179.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.539 ' O ' HD13 ' A' ' 23' ' ' LEU . 78.6 Cg_exo -46.63 169.29 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.819 2.346 . . . . 0.0 113.235 -179.071 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -90.04 -10.63 44.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.789 179.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -32.51 69.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.377 -178.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.539 HD13 ' O ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -102.03 10.0 39.94 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.387 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.439 ' CH2' ' HB2' ' A' ' 10' ' ' LYS . 69.4 t-105 -50.55 108.26 0.22 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.302 179.527 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 143.32 -23.93 2.21 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.959 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.408 ' HB3' ' HB2' ' A' ' 29' ' ' ARG . 15.6 t0 -78.1 93.14 4.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.77 0.319 . . . . 0.0 111.138 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.438 ' HA ' ' HG2' ' A' ' 30' ' ' MET . 20.4 t80 -51.75 -40.97 61.21 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.936 -179.737 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.01 -37.71 93.42 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 113.44 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.408 ' HB2' ' HB3' ' A' ' 26' ' ' ASP . 2.1 mmt-85 -78.63 -37.12 42.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.73 0.265 . . . . 0.0 111.487 -179.349 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.438 ' HG2' ' HA ' ' A' ' 27' ' ' PHE . 12.0 ptp -68.58 -45.97 70.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.641 0.258 . . . . 0.0 110.824 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -61.02 -37.34 82.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.901 0.381 . . . . 0.0 110.306 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.98 -46.52 88.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.337 179.392 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.69 -32.0 65.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.829 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.479 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 14.1 t80 -63.79 -44.79 92.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.628 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.3 -42.56 96.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.857 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -65.3 -30.94 71.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -87.46 -22.12 25.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.055 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.5 m -76.03 -30.68 58.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.472 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.89 -35.74 69.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.905 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 pp -84.15 -13.77 51.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.197 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 37.0 mt -93.35 1.97 56.73 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 120.776 0.322 . . . . 0.0 110.922 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.511 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 4.8 t-80 -78.7 140.01 58.77 Favored Pre-proline 0 CA--C 1.531 0.217 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.367 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.511 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 20.2 Cg_endo -62.33 -14.96 41.83 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.82 2.346 . . . . 0.0 113.856 -178.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.458 ' HB2' ' HD1' ' A' ' 42' ' ' HIS . 1.1 m-20 -85.69 -20.78 28.87 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.984 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.415 ' HD3' ' HB3' ' A' ' 42' ' ' HIS . 0.2 OUTLIER -103.12 28.66 6.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.948 0.404 . . . . 0.0 110.62 179.625 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.43 30.16 60.8 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.468 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.428 ' O ' ' HA ' ' A' ' 43' ' ' PRO . . . -105.73 163.06 14.01 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.979 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.54 158.6 16.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.992 0.425 . . . . 0.0 111.234 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -78.18 -49.65 13.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.628 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.435 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -55.6 -36.5 67.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.535 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.33 -48.56 55.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.919 0.39 . . . . 0.0 110.708 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 7.5 tpt -57.84 -48.93 78.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.251 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.16 -32.66 72.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.211 -179.638 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 1.9 mt-10 -62.28 -41.38 98.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.958 0.408 . . . . 0.0 110.521 179.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.479 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 37.2 tp -64.28 -51.52 63.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.935 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.11 -37.78 81.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.719 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.6 -37.95 88.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.786 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.611 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 21.0 mt -82.52 -23.58 34.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.566 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 71.1 t-105 -89.77 -18.24 26.69 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.96 -61.08 2.75 Favored Glycine 0 C--N 1.335 0.484 0 C-N-CA 120.995 -0.621 . . . . 0.0 111.702 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.616 HG21 HD21 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -55.76 -50.43 70.45 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 178.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.561 ' N ' ' CG2' ' A' ' 61' ' ' THR . 1.5 t80 -44.35 -49.1 9.69 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 113.406 -1.725 . . . . 0.0 109.481 177.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.577 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 1.8 ttmt -59.64 -34.97 73.48 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 114.237 -1.347 . . . . 0.0 111.131 179.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.1 m -47.23 -37.8 11.1 Favored 'General case' 0 CA--C 1.521 -0.147 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -85.61 -33.3 21.68 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.678 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.577 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 78.5 t . . . . . 0 C--O 1.232 0.163 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.747 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.77 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.179 0 CA-C-O 121.331 0.586 . . . . 0.0 112.308 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.422 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 90.0 p -90.57 -177.32 5.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.136 -179.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -54.65 -35.8 63.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.919 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.06 -36.06 77.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.615 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.77 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 17.4 m-20 -84.89 -46.03 11.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.261 -179.539 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.44 ' HG3' ' N ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -62.39 -35.36 78.94 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.161 179.671 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.44 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 7.7 mm-40 -68.74 -34.46 75.64 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.635 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -60.86 -32.54 71.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.833 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.45 ' HB2' ' HB3' ' A' ' 58' ' ' LEU . 2.7 tp -68.43 -36.25 78.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.918 179.243 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.457 ' CD2' HD21 ' A' ' 19' ' ' LEU . 14.2 mt -68.53 -38.44 80.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.064 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.79 -50.46 70.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.857 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.418 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 1.9 mt -75.28 -15.66 60.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.094 179.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.444 HD23 ' N ' ' A' ' 17' ' ' LEU . 1.3 mm? -90.16 -8.3 51.55 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.787 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.37 20.77 1.5 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.34 0.59 . . . . 0.0 110.229 -178.625 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.579 HD11 HD23 ' A' ' 23' ' ' LEU . 3.6 tt -107.89 107.64 60.5 Favored Pre-proline 0 N--CA 1.449 -0.516 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.813 -179.681 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.48 ' O ' HD12 ' A' ' 23' ' ' LEU . 88.0 Cg_exo -47.22 168.31 0.07 OUTLIER 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.742 2.295 . . . . 0.0 113.143 -178.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.434 ' HG3' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -88.87 -5.01 58.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.89 179.384 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -75.71 -33.99 60.35 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.152 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.579 HD23 HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -104.4 12.96 32.8 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.346 -179.743 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 54.4 t-105 -55.89 105.71 0.21 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.037 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 150.33 -21.26 1.08 Allowed Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.91 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.448 ' O ' ' HG2' ' A' ' 30' ' ' MET . 21.6 t0 -84.35 108.44 17.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.663 0.231 . . . . 0.0 111.038 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.48 ' CD1' HG12 ' A' ' 66' ' ' VAL . 12.3 t80 -61.42 -40.18 93.49 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.699 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.59 -33.22 84.16 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.774 -0.727 . . . . 0.0 113.244 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.8 mtt-85 -82.99 -41.93 18.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.86 0.33 . . . . 0.0 111.669 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.54 ' HA ' HD13 ' A' ' 19' ' ' LEU . 14.2 ptp -65.98 -49.09 69.07 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 121.323 -0.151 . . . . 0.0 111.111 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -63.3 -40.54 97.63 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.48 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 7.0 tp60 -60.51 -38.95 86.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.946 179.116 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.19 -42.35 55.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.595 179.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.479 ' CD2' ' CG ' ' A' ' 59' ' ' TRP . 11.9 t80 -51.77 -39.33 58.41 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.706 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -74.25 -42.84 59.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.975 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' A' ' 32' ' ' GLN . 27.2 mm-40 -65.65 -31.93 73.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.628 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.426 ' HA ' HD21 ' A' ' 40' ' ' LEU . 97.8 mm-40 -87.31 -22.69 24.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.02 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.41 -22.07 62.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.439 179.096 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.53 HD23 ' HZ1' ' A' ' 45' ' ' LYS . 3.9 mt -83.75 -32.15 25.59 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.253 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.426 HD21 ' HA ' ' A' ' 37' ' ' GLN . 4.3 pp -85.19 -10.45 56.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.3 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.406 HD21 ' HB3' ' A' ' 51' ' ' LEU . 0.5 OUTLIER -95.09 -10.13 31.63 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.795 0.331 . . . . 0.0 110.952 179.462 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.544 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 2.4 t-80 -58.91 145.36 79.64 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.405 179.27 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.544 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 38.5 Cg_endo -67.3 -8.57 22.4 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.355 2.037 . . . . 0.0 112.755 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.412 ' HB3' ' HD2' ' A' ' 45' ' ' LYS . 2.2 t70 -88.48 -22.08 23.84 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 120.654 0.264 . . . . 0.0 110.853 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.53 ' HZ1' HD23 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -106.72 29.56 6.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.834 0.349 . . . . 0.0 110.639 179.594 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.48 66.27 2.41 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.433 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -137.29 161.91 25.31 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.413 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 m -90.18 133.81 34.67 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.754 0.311 . . . . 0.0 110.805 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.434 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 5.9 p80 -69.34 -28.63 66.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.892 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.416 ' HA ' HE21 ' A' ' 53' ' ' GLN . . . -68.58 -27.74 66.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.554 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.406 ' HB3' HD21 ' A' ' 41' ' ' LEU . 1.7 mp -78.27 -50.29 12.12 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.983 0.42 . . . . 0.0 111.011 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.93 -51.62 63.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.674 -179.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 17.7 pt20 -64.03 -26.88 68.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.631 0.253 . . . . 0.0 111.151 -179.512 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -73.44 -39.07 65.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.09 0.471 . . . . 0.0 110.451 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.449 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 13.6 tp -58.04 -42.28 85.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.267 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -62.05 -29.06 70.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.04 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.1 t -76.72 -28.4 55.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.207 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.477 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 17.4 mt -89.84 -31.45 17.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.166 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.653 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 66.0 t-105 -88.07 -17.05 31.94 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 179.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.42 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -78.95 -59.66 2.73 Favored Glycine 0 C--N 1.338 0.676 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.156 179.398 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.547 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -57.08 -50.59 72.31 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 179.221 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.547 ' N ' ' CG2' ' A' ' 61' ' ' THR . 4.7 t80 -43.55 -51.09 7.02 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 113.359 -1.746 . . . . 0.0 109.311 177.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.653 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 1.2 ttmt -55.76 -39.45 71.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.191 -1.368 . . . . 0.0 111.162 179.304 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.418 ' HB ' ' O ' ' A' ' 61' ' ' THR . 91.5 m -48.25 -37.58 16.47 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.191 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -85.2 -29.94 24.3 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.793 178.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.57 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 70.3 t . . . . . 0 N--CA 1.453 -0.308 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.949 179.784 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.763 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER . . . . . 0 CA--C 1.522 -0.133 0 CA-C-O 121.382 0.611 . . . . 0.0 112.292 . . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.406 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 27.0 p -90.61 -174.26 4.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.436 -179.44 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.41 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 7.5 mtt180 -58.07 -39.17 77.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.656 179.893 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.37 -49.13 76.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.303 179.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.763 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 21.8 m-20 -64.82 -57.22 9.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.952 -179.836 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 6' ' ' SER . 0.1 OUTLIER -54.12 -31.76 53.11 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.999 0.428 . . . . 0.0 110.009 179.53 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 8.7 mt-10 -65.9 -38.74 89.51 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.583 178.502 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -62.46 -30.59 71.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.905 179.195 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.41 HD23 ' CD2' ' A' ' 62' ' ' PHE . 3.1 tp -70.73 -31.62 68.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.987 179.149 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.437 ' HG ' ' CZ3' ' A' ' 24' ' ' TRP . 11.7 mt -72.96 -41.12 64.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.988 179.748 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -54.61 -47.03 73.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.017 0.437 . . . . 0.0 110.526 179.667 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.578 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 18.1 mt -77.58 -15.51 59.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.074 179.685 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.449 HD12 ' HB2' ' A' ' 34' ' ' TYR . 1.3 mm? -90.44 -7.18 53.76 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -179.718 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 52.92 20.29 1.6 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.32 0.581 . . . . 0.0 110.292 -178.879 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.498 HD22 HD22 ' A' ' 23' ' ' LEU . 3.2 tt -109.57 109.35 59.92 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.142 -179.204 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.494 ' O ' HD13 ' A' ' 23' ' ' LEU . 86.0 Cg_exo -47.99 167.92 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.752 2.302 . . . . 0.0 113.672 -178.695 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.65 -3.26 58.83 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.549 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.16 -30.6 30.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.992 0.425 . . . . 0.0 111.05 -178.947 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.498 HD22 HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -106.29 13.12 29.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.479 -179.892 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.437 ' CZ3' ' HG ' ' A' ' 14' ' ' LEU . 54.8 t-105 -53.74 96.79 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.168 179.516 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 159.16 -25.02 0.33 Allowed Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.828 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -77.26 97.28 4.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.8 0.333 . . . . 0.0 111.169 -179.832 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.473 ' CD1' HG13 ' A' ' 66' ' ' VAL . 24.9 t80 -52.48 -37.18 56.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.938 0.399 . . . . 0.0 111.473 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.445 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -63.87 -34.73 90.73 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.874 -0.679 . . . . 0.0 113.477 -179.277 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.412 ' HB3' HD13 ' A' ' 19' ' ' LEU . 29.3 mtt180 -81.23 -44.15 18.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.866 0.333 . . . . 0.0 111.721 -179.167 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 14.8 ptp -63.08 -46.32 87.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.63 0.252 . . . . 0.0 111.044 -179.875 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -64.86 -35.45 81.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.777 0.322 . . . . 0.0 110.509 179.748 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.445 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -61.86 -45.48 93.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 0.0 109.916 179.378 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.404 ' HB1' HD11 ' A' ' 17' ' ' LEU . . . -71.33 -43.33 67.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.577 179.493 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.449 ' HB2' HD12 ' A' ' 17' ' ' LEU . 13.1 t80 -50.76 -50.27 56.22 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-O 120.958 0.408 . . . . 0.0 110.59 179.43 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -66.05 -29.77 70.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.944 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -72.43 -51.02 22.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.106 0.479 . . . . 0.0 110.812 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.578 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 23.0 mm100 -71.39 -17.79 62.39 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.345 -179.65 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.6 m -69.52 -31.89 70.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.988 0.423 . . . . 0.0 110.367 179.253 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.7 mt -69.61 -34.0 73.47 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.119 -179.862 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 4.4 pp -87.08 -15.7 37.76 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.625 0.25 . . . . 0.0 111.278 179.912 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 60.2 mt -95.11 6.16 49.83 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 120.751 0.31 . . . . 0.0 110.853 179.33 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.575 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 20.4 t60 -89.64 143.38 30.34 Favored Pre-proline 0 C--N 1.332 -0.179 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.633 179.838 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.575 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 33.4 Cg_endo -65.33 -10.26 25.31 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.708 2.272 . . . . 0.0 113.494 -179.14 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -85.47 -18.66 32.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.682 0.277 . . . . 0.0 110.945 179.58 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt -116.3 30.93 7.04 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.794 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.48 32.52 57.62 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.706 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -105.8 161.3 14.5 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.533 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.25 147.38 23.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.701 0.286 . . . . 0.0 110.878 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -73.41 -43.15 61.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.566 179.706 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.68 -30.07 71.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.778 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.8 mp -67.24 -49.44 64.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.698 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -25.85 68.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.832 179.588 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -73.3 -33.78 65.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.91 -54.21 38.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.921 -179.89 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.9 tp -58.01 -45.7 86.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.146 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.73 -39.68 81.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.962 -179.837 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 41.6 t -70.11 -46.88 63.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.898 0.38 . . . . 0.0 110.855 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.445 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 0.9 OUTLIER -69.83 -25.57 63.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 179.86 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.622 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 70.6 t-105 -89.61 -11.69 41.92 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.16 179.49 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -79.49 -63.33 2.04 Favored Glycine 0 C--N 1.337 0.6 0 C-N-CA 120.917 -0.659 . . . . 0.0 111.735 179.303 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.54 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -57.07 -51.14 70.47 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 178.832 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.54 ' N ' ' CG2' ' A' ' 61' ' ' THR . 4.1 t80 -42.98 -50.05 5.92 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 113.675 -1.602 . . . . 0.0 109.36 178.033 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.622 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 4.0 ttmt -55.08 -43.78 74.24 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.45 -1.25 . . . . 0.0 111.323 179.417 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.5 m -47.14 -36.64 8.74 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.298 0.57 . . . . 0.0 109.551 179.322 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -85.43 -31.38 22.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.397 178.293 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.578 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 51.6 t . . . . . 0 C--O 1.231 0.122 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.812 179.538 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.772 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.2 pt? . . . . . 0 N--CA 1.461 0.109 0 CA-C-O 121.038 0.447 . . . . 0.0 111.325 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.3 p -90.33 -172.18 3.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.353 -179.337 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.6 mmt85 -59.94 -36.45 77.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.349 179.562 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.82 -42.59 99.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.161 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.772 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 40.7 m-20 -63.1 -59.07 5.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.109 -179.902 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.559 ' N ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -59.55 -38.61 81.53 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.77 0.319 . . . . 0.0 110.517 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.403 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 5.2 tp10 -65.18 -27.2 68.53 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.416 179.22 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.9 tpp180 -85.29 -29.48 24.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.39 179.411 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.43 HD21 ' CD2' ' A' ' 62' ' ' PHE . 2.6 tp -70.79 -34.86 72.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.185 179.439 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.8 mt -70.17 -38.65 75.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.837 179.708 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.29 -41.07 83.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.514 179.732 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.581 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 0.4 OUTLIER -79.71 -19.46 48.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.984 179.927 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.401 HD12 ' HB2' ' A' ' 34' ' ' TYR . 1.3 mm? -90.25 -6.24 55.44 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -179.804 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.86 21.47 1.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.428 0.632 . . . . 0.0 109.874 -178.727 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.463 ' CG ' HD21 ' A' ' 23' ' ' LEU . 3.4 tt -109.74 110.87 59.24 Favored Pre-proline 0 N--CA 1.449 -0.487 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.661 -179.054 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.501 ' O ' HD12 ' A' ' 23' ' ' LEU . 79.3 Cg_exo -48.72 169.11 0.09 OUTLIER 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.598 2.199 . . . . 0.0 113.243 -178.863 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.96 -13.05 39.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.741 179.253 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -65.92 -36.29 82.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.071 -179.459 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.501 HD12 ' O ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -100.77 7.89 43.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.159 179.789 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 60.5 t-105 -50.66 99.71 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.174 179.587 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.21 -23.93 0.59 Allowed Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.939 179.857 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.407 ' O ' ' HG2' ' A' ' 30' ' ' MET . 30.4 t0 -79.0 85.91 4.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.665 0.269 . . . . 0.0 111.181 -179.78 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.506 ' CD1' HG13 ' A' ' 66' ' ' VAL . 16.6 t80 -45.0 -40.27 6.33 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.762 -179.84 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.37 -37.8 95.39 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.855 -0.688 . . . . 0.0 113.266 -179.429 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -50.06 17.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.66 0.267 . . . . 0.0 111.53 -179.399 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.407 ' HG2' ' O ' ' A' ' 26' ' ' ASP . 12.4 ptp -57.78 -48.27 80.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.324 -179.504 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -57.85 -37.59 74.16 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.93 0.395 . . . . 0.0 110.158 179.568 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -41.92 98.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.968 179.138 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.57 -38.97 67.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.606 179.425 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.401 ' HB2' HD12 ' A' ' 17' ' ' LEU . 10.1 t80 -54.0 -39.59 66.21 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.491 179.642 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.51 -35.84 65.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.678 179.756 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -60.22 -45.28 93.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.987 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.581 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 18.7 mp0 -83.87 -20.71 32.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.101 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.42 -26.76 61.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.341 179.328 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.6 mt -72.57 -31.43 65.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.381 -179.72 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.9 pp -88.62 -16.5 32.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.676 0.274 . . . . 0.0 110.934 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.7 mt -95.02 1.89 55.22 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 120.863 0.363 . . . . 0.0 110.611 178.848 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.536 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 5.8 t-80 -81.55 134.5 50.99 Favored Pre-proline 0 CA--C 1.529 0.155 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.357 179.629 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.536 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 13.0 Cg_endo -57.05 -16.94 22.73 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.665 2.243 . . . . 0.0 113.277 -179.304 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.37 -20.02 32.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.577 0.227 . . . . 0.0 111.235 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -111.17 30.75 6.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.92 0.39 . . . . 0.0 110.672 179.839 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.05 49.56 74.16 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.596 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -112.28 -178.68 19.87 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.392 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.16 140.1 30.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.331 . . . . 0.0 110.861 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.48 -42.62 18.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.52 -31.68 72.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.444 -179.874 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.1 mt -70.71 -49.31 48.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.29 -34.52 33.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.211 -179.89 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.6 mm100 -74.9 -30.54 61.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.79 179.655 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.38 -57.23 8.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.79 179.821 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.461 HD13 ' HA ' ' A' ' 55' ' ' LEU . 11.3 tp -58.18 -33.22 69.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -62.21 -48.48 79.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.588 179.663 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 57.3 p -66.12 -45.47 80.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.586 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 13.5 mt -68.24 -27.44 66.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.24 -179.784 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.52 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 65.5 t-105 -90.3 -15.76 30.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.276 179.886 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -80.56 -63.81 1.89 Allowed Glycine 0 C--N 1.336 0.544 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.833 179.138 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.627 HG21 ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -52.91 -49.6 65.61 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 178.856 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.627 ' N ' HG21 ' A' ' 61' ' ' THR . 6.7 t80 -44.39 -52.29 7.85 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 113.405 -1.725 . . . . 0.0 109.433 178.023 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.595 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 2.6 ttmt -55.09 -40.67 70.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.124 -1.398 . . . . 0.0 111.205 179.564 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.44 ' HB ' ' O ' ' A' ' 61' ' ' THR . 96.5 m -49.99 -36.19 27.39 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 178.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -85.22 -31.72 23.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.157 -0.928 . . . . 0.0 109.505 178.265 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.595 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 72.8 t . . . . . 0 N--CA 1.456 -0.174 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.917 -179.872 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.729 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.8 OUTLIER . . . . . 0 CA--C 1.523 -0.089 0 CA-C-O 120.963 0.411 . . . . 0.0 111.483 . . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.4 p -80.67 -178.16 6.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.31 179.673 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.4 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 1.0 OUTLIER -56.32 -38.92 71.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.903 179.955 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.24 -42.44 83.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.458 -179.82 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.729 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 47.2 m-20 -67.01 -52.29 44.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.242 -179.662 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 11' ' ' GLU . 0.5 OUTLIER -57.26 -36.57 71.13 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.969 0.414 . . . . 0.0 110.043 179.428 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.421 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 2.0 mt-10 -69.98 -30.27 67.56 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.771 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.43 ' O ' HD11 ' A' ' 16' ' ' LEU . 25.7 ttp180 -67.85 -42.62 81.08 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.59 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.5 tp -53.39 -36.36 61.36 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.911 178.921 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.417 HD23 ' CD2' ' A' ' 19' ' ' LEU . 13.7 mt -64.63 -50.66 66.24 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.31 179.912 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -48.97 -31.7 7.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.326 -179.476 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.43 HD11 ' O ' ' A' ' 12' ' ' ARG . 6.4 mp -82.8 -35.95 25.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.94 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.408 ' CD1' HD11 ' A' ' 55' ' ' LEU . 9.1 mp -78.19 3.04 16.24 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -179.808 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.85 18.62 3.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.431 0.634 . . . . 0.0 109.765 -178.72 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.502 ' CD1' HD22 ' A' ' 23' ' ' LEU . 5.5 tt -114.6 104.67 54.26 Favored Pre-proline 0 N--CA 1.448 -0.526 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.08 -179.206 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.495 ' O ' HD12 ' A' ' 23' ' ' LEU . 38.6 Cg_exo -58.08 173.91 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.805 2.337 . . . . 0.0 113.346 -178.673 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.87 -11.99 54.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.776 179.029 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.09 -28.06 69.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.961 -179.49 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.532 ' H ' HD12 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -116.32 13.02 15.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.198 179.947 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 44.3 t-105 -52.85 104.89 0.1 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.131 179.312 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 151.19 -32.33 0.95 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.809 179.897 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -73.91 88.24 1.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 0.0 110.978 -179.815 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.475 ' HA ' ' CG ' ' A' ' 30' ' ' MET . 16.0 t80 -46.95 -43.12 18.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.934 -179.69 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.22 -32.94 68.48 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.876 -0.678 . . . . 0.0 113.264 -179.36 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.01 -46.76 12.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.801 0.3 . . . . 0.0 111.634 -179.254 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.475 ' CG ' ' HA ' ' A' ' 27' ' ' PHE . 13.7 ptp -61.98 -44.53 96.55 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.063 -179.805 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -63.7 -43.27 97.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.864 0.364 . . . . 0.0 110.4 179.574 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -60.85 -42.06 97.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.329 179.412 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.82 -31.44 63.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.577 179.634 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.489 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 7.9 t80 -62.39 -46.74 87.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.449 179.6 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.98 -40.6 95.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.83 179.864 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -60.45 -29.76 69.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.715 179.878 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.435 ' HA ' HD22 ' A' ' 40' ' ' LEU . 9.8 mm-40 -83.96 -30.82 25.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.8 m -57.63 -26.29 61.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.132 179.854 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.65 -43.92 21.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.471 -179.56 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.435 HD22 ' HA ' ' A' ' 37' ' ' GLN . 2.1 pp -81.63 -7.55 59.6 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -179.602 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 80.3 mt -91.49 5.78 48.14 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.856 0.36 . . . . 0.0 110.988 179.335 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.513 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 7.1 t-80 -89.99 131.97 37.62 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.285 179.81 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.513 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 11.7 Cg_endo -55.77 -14.99 11.8 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.478 2.119 . . . . 0.0 112.716 -179.815 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -80.1 -22.34 42.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.812 0.339 . . . . 0.0 111.066 179.704 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -109.02 30.06 6.92 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.847 -179.909 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 69.07 45.03 63.88 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.564 179.859 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -122.17 168.04 14.75 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.551 179.867 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.12 158.2 17.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.816 0.341 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -83.24 -50.75 8.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.874 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.2 -23.63 23.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.384 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.406 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 6.3 mp -66.72 -54.25 24.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.346 -179.768 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -52.92 62.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.647 -179.413 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -58.84 -29.08 66.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.625 -179.375 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -81.93 -41.19 21.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 0.0 111.009 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.489 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 36.3 tp -57.03 -49.45 75.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.403 -179.524 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -58.1 -38.15 75.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.371 . . . . 0.0 111.196 -179.789 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.14 -46.22 78.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.179 -179.826 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.476 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -70.86 -25.53 62.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.229 -179.804 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.657 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 69.2 t-105 -88.66 -20.3 25.07 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.4 -179.941 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.51 -63.66 2.43 Favored Glycine 0 C--N 1.333 0.407 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.268 179.296 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.547 ' CG2' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -53.45 -50.47 65.22 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 179.25 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.54 ' N ' ' CG2' ' A' ' 61' ' ' THR . 2.1 t80 -43.68 -51.55 7.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 113.619 -1.628 . . . . 0.0 109.185 177.549 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.657 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 0.4 OUTLIER -56.75 -44.46 81.74 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 113.974 -1.466 . . . . 0.0 111.24 179.235 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.8 m -47.79 -36.31 11.49 Favored 'General case' 0 CA--C 1.521 -0.154 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.232 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.49 -31.97 22.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.576 178.297 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.534 ' HB ' ' HA ' ' A' ' 63' ' ' LYS . 44.9 t . . . . . 0 C--O 1.231 0.094 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.947 179.861 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.754 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.336 0.588 . . . . 0.0 112.479 . . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.427 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 80.8 p -90.38 -178.58 5.39 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.12 -179.613 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.1 -37.18 53.29 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.424 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.56 -47.99 71.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.32 -179.862 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.754 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 39.7 m-20 -68.49 -52.77 28.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.206 -179.641 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.427 ' HG2' ' O ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -56.45 -34.68 67.09 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.052 0.453 . . . . 0.0 109.987 179.561 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.412 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 1.6 mm-40 -68.81 -33.02 73.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.489 178.68 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.5 ttt85 -63.89 -34.85 78.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.764 179.163 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.455 ' HB2' ' HB3' ' A' ' 58' ' ' LEU . 3.7 tp -64.52 -36.1 83.09 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.755 179.091 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.44 HD12 ' CE3' ' A' ' 24' ' ' TRP . 12.1 mt -66.79 -35.35 79.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.96 179.76 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.07 -51.82 68.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.724 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -73.27 -12.16 60.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.75 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.471 HD11 ' HB2' ' A' ' 34' ' ' TYR . 1.6 mm? -90.29 -9.44 47.87 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -179.603 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.428 ' HD3' ' NE2' ' A' ' 37' ' ' GLN . 0.0 OUTLIER 54.3 20.07 2.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.371 0.605 . . . . 0.0 109.823 -178.614 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.438 ' CD1' HD21 ' A' ' 23' ' ' LEU . 2.9 tt -111.9 110.02 54.68 Favored Pre-proline 0 N--CA 1.45 -0.471 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.748 -179.219 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.544 ' O ' HD13 ' A' ' 23' ' ' LEU . 79.0 Cg_exo -47.16 168.0 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.756 2.304 . . . . 0.0 113.375 -178.787 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -90.4 -4.99 56.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.105 179.393 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.29 -24.45 46.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.247 -179.197 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -111.69 11.84 21.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.09 179.794 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.44 ' CE3' HD12 ' A' ' 14' ' ' LEU . 51.2 t-105 -51.26 116.5 2.07 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.383 179.7 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 137.33 -28.21 2.8 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.631 -0.795 . . . . 0.0 113.069 179.598 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.428 ' O ' ' HG2' ' A' ' 30' ' ' MET . 3.7 t70 -72.88 87.04 1.29 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.75 0.309 . . . . 0.0 111.112 -179.584 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.48 ' CE1' HG13 ' A' ' 66' ' ' VAL . 12.5 t80 -45.46 -42.45 10.54 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.819 -179.864 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.3 -36.92 94.06 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.831 -0.699 . . . . 0.0 113.542 -179.159 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.411 ' HB2' ' HB3' ' A' ' 26' ' ' ASP . 0.2 OUTLIER -82.01 -38.55 24.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.858 0.329 . . . . 0.0 111.657 -179.244 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.443 ' CG ' ' HA ' ' A' ' 27' ' ' PHE . 12.0 ptp -69.26 -46.4 67.37 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 121.049 -0.26 . . . . 0.0 110.952 -179.866 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -62.75 -38.7 91.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.355 . . . . 0.0 110.161 179.593 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -60.18 -39.65 87.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.936 179.264 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.09 -40.48 64.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.451 179.304 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.478 ' CE2' ' CB ' ' A' ' 59' ' ' TRP . 15.4 t80 -53.08 -53.47 49.78 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.88 179.692 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.43 ' HE2' ' HD1' ' A' ' 34' ' ' TYR . 6.8 mmpt? -67.07 -27.78 67.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.931 179.762 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.91 -36.19 67.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.717 179.849 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.428 ' NE2' ' HD3' ' A' ' 18' ' ' LYS . 8.0 mm-40 -88.8 -22.94 22.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.975 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.8 m -66.95 -29.59 69.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.687 179.721 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 17.1 mt -70.9 -47.21 60.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.344 -179.73 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.435 HD12 ' HG ' ' A' ' 41' ' ' LEU . 3.1 pp -71.48 -15.68 62.33 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.987 -179.738 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.435 ' HG ' HD12 ' A' ' 40' ' ' LEU . 16.7 mt -95.62 -9.11 33.02 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 120.73 0.3 . . . . 0.0 110.447 178.488 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.486 ' ND1' ' HD2' ' A' ' 43' ' ' PRO . 7.6 t60 -60.74 142.62 91.77 Favored Pre-proline 0 CA--C 1.531 0.231 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.46 179.702 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.486 ' HD2' ' ND1' ' A' ' 42' ' ' HIS . 35.3 Cg_endo -66.65 -10.49 28.23 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.438 2.092 . . . . 0.0 113.273 -179.392 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.94 -20.91 32.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.714 0.292 . . . . 0.0 110.894 179.695 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -107.35 27.98 8.55 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.875 0.369 . . . . 0.0 110.713 179.702 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.19 22.86 72.73 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.541 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -91.24 155.64 23.67 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.535 179.876 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.27 152.13 26.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.769 0.319 . . . . 0.0 110.855 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -78.79 -51.92 9.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.782 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.66 -30.25 8.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.772 -179.817 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.16 -52.19 13.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.322 -179.545 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -35.75 74.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.512 -179.412 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -76.66 -28.44 56.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.117 -179.733 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.58 -46.11 70.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.843 0.354 . . . . 0.0 110.77 179.826 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.428 HD21 ' CE2' ' A' ' 34' ' ' TYR . 5.3 tp -70.96 -33.94 70.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.745 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.86 -31.99 70.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.66 179.757 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.04 -42.25 32.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.468 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 3.2 mt -68.78 -29.03 67.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.884 179.925 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.578 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 69.8 t-105 -90.05 -20.61 23.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.072 179.558 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.43 -62.06 3.0 Favored Glycine 0 C--N 1.336 0.565 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.09 179.341 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.555 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -55.02 -50.17 69.7 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 179.112 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.555 ' N ' ' CG2' ' A' ' 61' ' ' THR . 3.1 t80 -44.71 -51.41 9.3 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 113.366 -1.743 . . . . 0.0 109.43 178.051 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.578 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 1.1 ttmt -55.47 -35.68 65.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.281 -1.327 . . . . 0.0 111.045 179.482 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.3 m -47.77 -39.64 18.56 Favored 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.268 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -85.24 -30.39 23.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.686 178.508 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.551 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 76.5 t . . . . . 0 N--CA 1.455 -0.196 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.146 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.677 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 1.6 pt? . . . . . 0 CA--C 1.528 0.101 0 CA-C-O 120.734 0.302 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.7 p -90.11 -178.17 5.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.029 0.442 . . . . 0.0 111.875 -178.544 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.423 ' HA ' ' CG ' ' A' ' 10' ' ' LYS . 31.3 ttm180 -53.99 -33.13 56.19 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.606 179.702 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.36 -45.3 80.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.131 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.677 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 9.1 m-20 -68.15 -55.43 12.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.259 -179.84 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.435 ' N ' HD13 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -55.26 -38.67 68.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.942 0.401 . . . . 0.0 110.544 -179.787 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -72.65 -30.34 64.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.188 179.124 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.79 -31.22 56.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.082 179.432 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.426 ' CD2' ' CD2' ' A' ' 62' ' ' PHE . 2.9 tp -65.01 -35.12 80.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.077 179.252 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.407 HD23 HD21 ' A' ' 19' ' ' LEU . 13.6 mt -66.98 -49.41 65.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.98 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -59.85 -21.97 61.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.156 -179.923 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 37.6 mt -89.95 -34.11 16.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.747 0.308 . . . . 0.0 111.312 -179.866 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.1 mp -84.51 0.67 48.94 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -179.784 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.96 18.05 1.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.205 0.526 . . . . 0.0 110.577 -179.277 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.569 ' HG ' HD12 ' A' ' 23' ' ' LEU . 2.2 tt -99.9 110.71 60.16 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.255 -179.661 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.486 ' HB2' ' CD2' ' A' ' 23' ' ' LEU . 42.1 Cg_exo -50.81 -179.81 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.779 2.319 . . . . 0.0 112.964 -178.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.98 -25.25 24.38 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.517 -179.827 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.47 -10.39 11.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.897 -179.787 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.569 HD12 ' HG ' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -126.17 14.91 7.85 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.746 0.308 . . . . 0.0 110.85 179.708 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 59.3 t-105 -51.62 93.07 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.652 179.57 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.22 -19.4 4.33 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.092 -179.343 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -61.27 82.67 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.763 0.315 . . . . 0.0 110.712 179.737 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -45.39 -32.37 2.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.411 -179.747 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.16 -35.22 64.2 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.93 -179.789 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -85.44 -48.85 8.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.737 0.303 . . . . 0.0 111.406 -179.642 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 8.7 ptp -59.62 -47.7 84.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.94 -179.845 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -64.47 -45.01 89.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.831 0.348 . . . . 0.0 110.529 179.681 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -61.52 -37.39 83.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.264 179.501 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.39 -34.76 47.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.533 179.61 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.422 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 10.2 t80 -58.06 -45.14 87.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.265 179.591 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.8 -34.98 74.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.413 179.663 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -70.5 -34.84 72.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.475 179.619 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.4 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 99.3 mm-40 -83.6 -19.94 34.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.735 179.672 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.6 m -73.54 -34.6 65.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.68 179.673 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.7 mt -65.1 -40.93 95.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.826 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.7 pp -80.59 -12.65 59.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 179.794 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.454 HD23 ' HB3' ' A' ' 51' ' ' LEU . 8.6 mt -95.5 -2.67 48.17 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.269 179.543 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.482 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 4.6 t60 -75.84 141.52 71.94 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.623 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.482 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 26.2 Cg_endo -63.06 -9.67 17.87 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.809 2.339 . . . . 0.0 113.434 -179.327 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.6 -24.33 27.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.643 0.258 . . . . 0.0 111.217 179.906 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.27 24.01 9.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.801 0.334 . . . . 0.0 111.158 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.84 -10.83 61.42 Favored Glycine 0 CA--C 1.52 0.37 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.883 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.36 164.67 29.02 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.583 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.2 154.85 19.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.917 0.389 . . . . 0.0 110.934 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.433 ' CE1' ' HG3' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -83.28 -38.08 22.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.885 -179.98 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.66 -23.0 66.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.457 -179.787 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.454 ' HB3' HD23 ' A' ' 41' ' ' LEU . 2.4 mp -82.27 -51.67 7.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.111 -179.755 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 10.8 tpt -55.21 -45.12 75.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.234 -179.789 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.84 -28.0 68.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.16 -45.74 38.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.422 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 15.0 tp -54.11 -56.18 20.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.231 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -55.55 -39.41 70.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.825 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.08 -33.9 75.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.656 179.777 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.571 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 14.2 mt -83.22 -22.24 33.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.814 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.532 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 66.6 t-105 -89.04 -18.56 27.08 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 179.425 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.422 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -77.43 -60.86 2.73 Favored Glycine 0 C--N 1.337 0.604 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.702 179.037 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.56 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -54.74 -50.99 67.04 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 178.878 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.56 ' N ' ' CG2' ' A' ' 61' ' ' THR . 1.2 t80 -43.78 -50.99 7.59 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 113.42 -1.718 . . . . 0.0 109.534 178.084 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.559 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 2.9 ttmt -55.96 -39.9 72.44 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.199 -1.364 . . . . 0.0 111.098 179.783 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.7 m -46.91 -38.49 10.58 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.275 0.56 . . . . 0.0 109.533 179.177 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -85.5 -31.61 22.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.7 178.547 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.559 ' HB ' ' HA ' ' A' ' 63' ' ' LYS . 50.3 t . . . . . 0 C--O 1.231 0.083 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.805 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.4 pt? . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.854 0.359 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.7 p -89.09 -171.57 3.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.234 -179.365 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.85 -38.07 81.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.389 179.712 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.99 -45.69 92.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.201 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.805 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 3.5 m-20 -60.16 -58.79 7.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.961 -179.944 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.536 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -58.6 -39.31 80.06 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.862 0.363 . . . . 0.0 110.442 -179.922 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.488 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 3.9 mm-40 -67.22 -36.43 81.66 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.418 179.603 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -76.41 -34.79 58.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.003 179.436 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.402 HD23 ' CD2' ' A' ' 62' ' ' PHE . 2.5 tp -60.78 -39.22 88.01 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.678 179.051 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.485 ' CD2' HD21 ' A' ' 19' ' ' LEU . 26.8 mt -64.14 -45.25 89.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.666 179.701 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -57.02 -25.63 58.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mt -90.06 -30.68 17.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.721 179.801 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 mp -85.4 1.34 49.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.995 179.575 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.95 20.52 1.69 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.362 0.601 . . . . 0.0 109.748 -178.656 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.706 HD13 ' HG3' ' A' ' 29' ' ' ARG . 4.4 tt -107.77 108.98 62.12 Favored Pre-proline 0 N--CA 1.449 -0.504 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.204 -179.003 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.498 ' O ' HD11 ' A' ' 23' ' ' LEU . 53.5 Cg_exo -51.66 170.91 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.632 2.221 . . . . 0.0 113.009 -179.032 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.406 ' HA ' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -89.74 -7.07 55.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.07 179.236 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.8 tm0? -73.34 -32.24 64.44 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 -179.365 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.498 HD11 ' O ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -104.06 13.12 33.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.077 179.836 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.536 ' CH2' ' HB2' ' A' ' 10' ' ' LYS . 62.8 t-105 -54.47 100.52 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.082 179.422 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.28 -26.22 0.88 Allowed Glycine 0 CA--C 1.52 0.386 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.903 179.827 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.402 ' O ' ' HG2' ' A' ' 30' ' ' MET . 17.4 t70 -79.81 95.39 6.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.689 0.281 . . . . 0.0 111.026 -179.762 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.531 ' HA ' ' CG ' ' A' ' 30' ' ' MET . 42.6 t80 -52.14 -34.36 44.24 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.734 -179.6 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.01 -29.15 72.45 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.701 -0.761 . . . . 0.0 113.101 -179.33 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.706 ' HG3' HD13 ' A' ' 19' ' ' LEU . 3.9 tpt180 -87.11 -28.22 22.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.78 0.29 . . . . 0.0 111.75 -179.415 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.531 ' CG ' ' HA ' ' A' ' 27' ' ' PHE . 14.9 ptp -79.15 -42.47 26.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.682 -0.236 . . . . 0.0 110.885 179.867 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -68.9 -41.63 77.96 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 179.492 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -62.53 -42.24 99.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.053 0.454 . . . . 0.0 109.921 179.045 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.34 -37.02 63.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.564 179.553 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.459 ' CE2' ' CB ' ' A' ' 59' ' ' TRP . 12.5 t80 -60.69 -53.13 61.15 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.49 179.627 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.8 -36.53 81.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.36 179.64 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.38 -27.36 67.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.634 179.693 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.421 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 86.2 mm-40 -88.81 -22.7 23.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.682 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.2 m -71.21 -24.72 62.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.494 179.313 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.508 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 3.3 mt -74.28 -22.52 59.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.563 -179.706 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 1.4 pp -89.54 -24.36 21.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.713 0.292 . . . . 0.0 110.96 -179.842 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.5 mt -95.09 12.87 27.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.12 179.549 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.482 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 34.9 t-80 -82.96 132.16 51.84 Favored Pre-proline 0 CA--C 1.53 0.203 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.765 179.94 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.482 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 78.0 Cg_exo -41.91 -30.7 1.24 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.238 2.625 . . . . 0.0 114.422 -179.097 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.18 -18.31 50.02 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.123 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.508 ' HG3' ' O ' ' A' ' 39' ' ' LEU . 11.8 mmtm -109.49 31.17 5.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.974 0.416 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 60.43 73.93 0.43 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.452 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -138.71 154.0 22.91 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.581 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.23 149.89 22.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.772 0.32 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -75.44 -43.64 48.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.711 179.821 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.47 -23.93 18.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.252 179.853 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.71 -49.17 7.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -42.43 81.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.207 -179.851 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -30.67 64.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.129 -179.925 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -69.64 -47.35 63.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.667 179.779 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 58.4 tp -62.98 -41.76 99.65 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.738 179.9 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -63.22 -41.34 99.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.674 179.698 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.0 p -65.52 -28.2 69.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.563 179.677 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.611 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 10.3 mt -83.02 -26.33 31.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.56 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 69.7 t-105 -89.0 -15.97 32.84 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 110.027 -0.361 . . . . 0.0 110.027 179.428 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -79.07 -62.4 2.22 Favored Glycine 0 C--N 1.335 0.511 0 C-N-CA 121.017 -0.611 . . . . 0.0 111.829 179.086 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.615 HG23 ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -54.63 -50.29 68.47 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 178.991 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.615 ' N ' HG23 ' A' ' 61' ' ' THR . 1.7 t80 -44.59 -49.32 10.23 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 113.584 -1.644 . . . . 0.0 109.644 178.15 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.56 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 2.2 ttmt -60.24 -37.23 79.71 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.171 -1.377 . . . . 0.0 111.218 179.809 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 43.1 m -46.05 -38.42 7.9 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-O 121.416 0.627 . . . . 0.0 109.492 179.28 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -85.56 -32.5 22.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.762 178.584 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.525 ' HB ' ' HA ' ' A' ' 63' ' ' LYS . 70.8 t . . . . . 0 N--CA 1.457 -0.119 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.935 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.731 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.6 pt? . . . . . 0 N--CA 1.461 0.106 0 CA-C-O 121.011 0.434 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.8 p -90.39 -178.99 5.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.459 -179.21 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.432 ' HG2' ' N ' ' A' ' 8' ' ' ALA . 0.1 OUTLIER -55.47 -30.95 61.52 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.889 179.525 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.432 ' N ' ' HG2' ' A' ' 7' ' ' ARG . . . -67.99 -43.58 78.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.126 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.731 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 2.0 m-20 -66.49 -57.85 6.47 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.24 -179.815 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.641 ' N ' HD11 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -54.13 -45.0 71.82 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.155 -179.223 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.467 ' HG2' ' CD ' ' A' ' 10' ' ' LYS . 3.8 mm-40 -67.86 -28.2 67.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.914 0.387 . . . . 0.0 110.148 179.075 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.0 ttt-85 -77.77 -42.32 34.42 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.415 179.596 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.469 HD21 ' CD2' ' A' ' 62' ' ' PHE . 0.8 OUTLIER -59.19 -30.38 68.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.11 179.222 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.411 ' CD2' HD22 ' A' ' 19' ' ' LEU . 13.6 mt -66.9 -37.85 85.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.641 179.503 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -59.72 -42.44 93.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.433 179.835 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.401 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 2.3 mp -78.61 -16.93 56.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.87 179.59 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.449 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -89.99 -6.58 55.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.666 -179.964 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 51.89 21.65 1.52 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.453 0.644 . . . . 0.0 109.863 -178.83 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.519 HD13 HD23 ' A' ' 23' ' ' LEU . 4.6 tt -112.58 113.12 50.83 Favored Pre-proline 0 N--CA 1.45 -0.455 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.375 -179.09 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.517 ' O ' HD13 ' A' ' 23' ' ' LEU . 78.4 Cg_exo -47.07 166.08 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.761 2.307 . . . . 0.0 113.458 -178.567 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.17 -3.86 57.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.097 179.705 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -77.64 -34.01 53.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.055 0.455 . . . . 0.0 110.997 -179.252 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.519 HD23 HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -101.16 11.6 39.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.478 -179.817 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.454 ' CZ2' ' CE1' ' A' ' 62' ' ' PHE . 41.9 t-105 -52.13 101.99 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.326 179.713 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.23 -25.06 0.69 Allowed Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.614 -0.803 . . . . 0.0 113.118 179.745 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.449 ' HB3' ' HB2' ' A' ' 29' ' ' ARG . 6.0 t70 -78.4 86.21 4.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.694 0.247 . . . . 0.0 111.295 -179.595 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.426 ' CD1' ' CG1' ' A' ' 66' ' ' VAL . 13.2 t80 -44.28 -44.76 8.25 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.635 -179.908 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.93 -35.71 87.82 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.749 -179.793 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.449 ' HB2' ' HB3' ' A' ' 26' ' ' ASP . 10.0 ttt-85 -75.57 -54.08 7.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.751 0.31 . . . . 0.0 111.182 -179.625 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.401 ' HG2' ' O ' ' A' ' 26' ' ' ASP . 13.0 ptp -58.22 -45.93 86.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.241 -179.713 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -58.68 -37.55 76.28 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.901 0.381 . . . . 0.0 110.302 179.63 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.61 -40.94 98.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.211 179.346 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.94 -38.04 66.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.459 179.5 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.464 ' CE2' HD21 ' A' ' 55' ' ' LEU . 10.8 t80 -54.85 -42.39 71.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.389 179.636 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -71.66 -29.91 65.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.793 179.815 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -66.12 -44.55 83.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.99 -179.712 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 2.9 mm-40 -84.92 -21.55 29.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.107 -179.948 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.9 -30.61 70.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.899 179.801 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 mt -73.79 -31.71 63.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.054 -179.785 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.7 pp -89.32 -12.89 39.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.612 -179.732 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 20.7 mt -94.88 -11.01 29.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.775 0.321 . . . . 0.0 110.814 179.577 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.569 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 3.2 t-80 -66.05 132.77 94.65 Favored Pre-proline 0 C--N 1.332 -0.173 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.508 179.594 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.569 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 19.6 Cg_endo -58.3 -12.42 13.29 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.629 2.22 . . . . 0.0 113.164 -179.59 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.46 -21.71 35.49 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.656 0.265 . . . . 0.0 111.295 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -109.98 28.88 8.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.85 0.357 . . . . 0.0 111.103 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.98 -11.03 63.59 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 0.0 113.039 179.69 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.94 163.37 29.64 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.631 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.32 154.67 19.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.746 0.308 . . . . 0.0 110.643 179.94 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.444 ' CD2' ' HG3' ' A' ' 43' ' ' PRO . 0.5 OUTLIER -80.2 -41.82 24.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.853 179.941 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.52 -27.94 68.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.492 -179.791 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.71 -51.11 10.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.013 -179.878 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.8 tpt -57.74 -43.46 85.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.086 -179.899 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -67.0 -33.19 75.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.761 -179.936 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -60.24 -51.25 70.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 -179.925 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.464 HD21 ' CE2' ' A' ' 34' ' ' TYR . 4.7 tp -64.03 -35.99 82.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.941 -179.906 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -61.76 -30.56 70.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.953 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.33 -34.51 25.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.236 -179.872 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.607 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 8.0 mt -77.23 -22.8 51.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.333 -179.659 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.573 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 63.5 t-105 -90.5 -21.48 21.81 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.831 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.493 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -76.66 -61.47 2.73 Favored Glycine 0 C--N 1.336 0.573 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 178.907 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.745 HG23 ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -52.58 -49.85 64.17 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 178.628 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.745 ' N ' HG23 ' A' ' 61' ' ' THR . 4.1 t80 -45.34 -50.67 11.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 113.404 -1.725 . . . . 0.0 109.444 178.016 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.573 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 1.4 ttmt -56.78 -34.67 67.85 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.143 -1.389 . . . . 0.0 111.097 179.414 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.441 ' HB ' ' O ' ' A' ' 61' ' ' THR . 66.8 m -49.58 -36.2 23.21 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.887 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -85.73 -30.66 22.93 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.421 178.319 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.553 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 87.0 t . . . . . 0 N--CA 1.453 -0.299 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.028 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.744 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 1.3 pt? . . . . . 0 C--O 1.23 0.076 0 CA-C-O 121.01 0.433 . . . . 0.0 110.618 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.2 p -76.08 -178.22 4.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.165 -179.174 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -56.28 -37.46 69.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.815 179.822 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.45 -44.03 88.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.416 -179.792 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.744 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 8.7 m-20 -63.46 -58.18 7.85 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.24 -179.676 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.503 ' N ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -58.28 -32.83 68.78 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.863 0.363 . . . . 0.0 110.655 -179.825 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.418 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.8 OUTLIER -71.67 -33.37 68.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.988 179.098 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.9 -31.4 69.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.274 179.46 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.512 ' HB2' ' HB3' ' A' ' 58' ' ' LEU . 5.5 tp -65.75 -37.28 85.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.956 179.229 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.486 ' HG ' ' CZ3' ' A' ' 24' ' ' TRP . 11.5 mt -66.85 -39.58 87.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.117 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -54.26 -52.98 59.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.817 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.424 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 3.4 mt -73.84 -12.14 60.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.044 179.745 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.459 ' N ' HD21 ' A' ' 17' ' ' LEU . 1.3 mm? -90.2 -12.91 36.69 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -179.581 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 54.07 20.87 2.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.471 0.653 . . . . 0.0 109.915 -178.542 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.527 ' CD2' HD21 ' A' ' 23' ' ' LEU . 2.4 tt -106.95 112.87 63.12 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.17 -178.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.419 ' HB2' HD12 ' A' ' 23' ' ' LEU . 71.9 Cg_exo -48.33 168.52 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.701 2.267 . . . . 0.0 113.522 -178.816 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.479 ' HG3' ' CD1' ' A' ' 14' ' ' LEU . 1.5 ttp180 -88.49 -2.8 58.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.577 179.856 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.49 -28.08 25.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.927 0.394 . . . . 0.0 111.595 -178.558 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.527 HD21 ' CD2' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -108.98 16.37 22.67 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.039 179.964 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.486 ' CZ3' ' HG ' ' A' ' 14' ' ' LEU . 65.9 t-105 -51.29 -20.38 1.64 Allowed 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.569 179.37 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.31 -11.39 80.66 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 113.041 179.94 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -83.5 121.18 26.86 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.764 0.316 . . . . 0.0 111.022 -179.921 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -78.42 -45.23 22.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.304 -179.83 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.471 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -59.69 -31.77 72.25 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.921 -179.572 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.55 -48.05 17.95 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -179.363 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.5 ptp -56.36 -53.47 57.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.452 -179.406 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -61.08 -34.68 75.31 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.743 0.306 . . . . 0.0 110.757 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.471 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -59.21 -45.01 92.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.658 179.697 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.95 -36.68 69.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.807 179.792 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.473 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 8.0 t80 -54.54 -42.93 71.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.579 179.729 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -80.35 -33.44 37.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.74 179.777 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.9 tm0? -66.7 -36.22 81.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.872 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 62.5 mm-40 -87.22 -20.93 26.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.219 -179.89 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 85.2 p -67.44 -28.09 67.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.915 0.388 . . . . 0.0 110.613 179.416 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 17.2 mt -73.19 -33.9 65.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.189 -179.867 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.421 ' CD1' ' HG ' ' A' ' 41' ' ' LEU . 2.9 pp -84.97 -15.68 43.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.761 0.315 . . . . 0.0 110.955 179.68 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.54 HD21 ' HB3' ' A' ' 51' ' ' LEU . 12.7 mt -95.49 -14.29 23.81 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 120.927 0.394 . . . . 0.0 110.534 178.673 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.592 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 4.3 t-80 -61.22 147.16 87.41 Favored Pre-proline 0 CA--C 1.531 0.223 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.675 179.899 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.592 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 39.0 Cg_endo -67.95 -9.1 24.59 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.617 2.211 . . . . 0.0 113.357 -179.366 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.437 ' HB2' ' HD1' ' A' ' 42' ' ' HIS . 0.3 OUTLIER -89.74 -23.75 21.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.676 0.274 . . . . 0.0 110.915 179.835 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.525 ' HD3' ' HB3' ' A' ' 42' ' ' HIS . 0.1 OUTLIER -101.83 30.93 4.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.818 0.342 . . . . 0.0 110.842 179.931 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.29 23.76 68.49 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.757 179.868 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -91.69 169.45 32.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.351 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.2 m -90.38 145.28 25.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 110.791 179.883 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.407 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 5.1 p-80 -80.51 -40.87 25.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.037 -179.796 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.1 -37.63 67.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.477 -179.85 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.54 ' HB3' HD21 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -66.97 -51.56 53.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.232 -179.782 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -31.72 39.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.226 -179.619 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 15.7 mm-40 -74.83 -38.22 62.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.972 0.415 . . . . 0.0 110.698 179.841 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -36.81 85.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.822 179.919 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.473 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 11.2 tp -67.49 -46.67 72.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -59.54 -24.42 63.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.167 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.8 t -78.46 -39.13 39.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.515 -179.627 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.59 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 81.0 mt -78.18 -28.39 48.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.294 -179.607 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.523 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 73.1 t-105 -83.45 -25.4 31.24 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.538 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.84 -61.65 3.96 Favored Glycine 0 C--N 1.334 0.448 0 C-N-CA 120.957 -0.639 . . . . 0.0 111.894 179.066 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.639 HG22 ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -51.96 -49.54 62.99 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 178.58 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.639 ' N ' HG22 ' A' ' 61' ' ' THR . 1.2 t80 -46.97 -51.32 17.33 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 113.089 -1.869 . . . . 0.0 109.411 177.728 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.57 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 0.3 OUTLIER -60.18 -32.89 71.5 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 114.247 -1.342 . . . . 0.0 111.061 179.818 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.422 ' HB ' ' O ' ' A' ' 61' ' ' THR . 38.9 m -49.13 -37.36 21.7 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.056 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -85.6 -30.96 22.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.648 178.075 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.57 ' HB ' ' HA ' ' A' ' 63' ' ' LYS . 96.7 t . . . . . 0 N--CA 1.455 -0.199 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.929 179.868 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.744 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 1.3 pt? . . . . . 0 C--O 1.23 0.076 0 CA-C-O 121.01 0.433 . . . . 0.0 110.618 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.2 p -76.08 -178.22 4.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.165 -179.174 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -56.28 -37.46 69.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.815 179.822 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.45 -44.03 88.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.416 -179.792 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.744 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 8.7 m-20 -63.46 -58.18 7.85 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.24 -179.676 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.503 ' N ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -58.28 -32.83 68.78 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.863 0.363 . . . . 0.0 110.655 -179.825 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.418 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.8 OUTLIER -71.67 -33.37 68.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.988 179.098 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.9 -31.4 69.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.274 179.46 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.512 ' HB2' ' HB3' ' A' ' 58' ' ' LEU . 5.5 tp -65.75 -37.28 85.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.956 179.229 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.486 ' HG ' ' CZ3' ' A' ' 24' ' ' TRP . 11.5 mt -66.85 -39.58 87.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.117 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -54.26 -52.98 59.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.817 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.424 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 3.4 mt -73.84 -12.14 60.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.044 179.745 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.459 ' N ' HD21 ' A' ' 17' ' ' LEU . 1.3 mm? -90.2 -12.91 36.69 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -179.581 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 54.07 20.87 2.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.471 0.653 . . . . 0.0 109.915 -178.542 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.527 ' CD2' HD21 ' A' ' 23' ' ' LEU . 2.4 tt -106.95 112.87 63.12 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.17 -178.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.419 ' HB2' HD12 ' A' ' 23' ' ' LEU . 71.9 Cg_exo -48.33 168.52 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.701 2.267 . . . . 0.0 113.522 -178.816 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.479 ' HG3' ' CD1' ' A' ' 14' ' ' LEU . 1.5 ttp180 -88.49 -2.8 58.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.577 179.856 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.49 -28.08 25.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.927 0.394 . . . . 0.0 111.595 -178.558 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.527 HD21 ' CD2' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -108.98 16.37 22.67 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.039 179.964 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.486 ' CZ3' ' HG ' ' A' ' 14' ' ' LEU . 65.9 t-105 -51.29 -20.38 1.64 Allowed 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.569 179.37 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.31 -11.39 80.66 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 113.041 179.94 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -83.5 121.18 26.86 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.764 0.316 . . . . 0.0 111.022 -179.921 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -78.42 -45.23 22.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.304 -179.83 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.471 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -59.69 -31.77 72.25 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.921 -179.572 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.55 -48.05 17.95 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -179.363 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.5 ptp -56.36 -53.47 57.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.452 -179.406 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -61.08 -34.68 75.31 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.743 0.306 . . . . 0.0 110.757 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.471 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -59.21 -45.01 92.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.658 179.697 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.95 -36.68 69.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.807 179.792 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.473 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 8.0 t80 -54.54 -42.93 71.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.579 179.729 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -80.35 -33.44 37.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.74 179.777 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.9 tm0? -66.7 -36.22 81.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.872 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 62.5 mm-40 -87.22 -20.93 26.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.219 -179.89 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 85.2 p -67.44 -28.09 67.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.915 0.388 . . . . 0.0 110.613 179.416 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 17.2 mt -73.19 -33.9 65.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.189 -179.867 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.421 ' CD1' ' HG ' ' A' ' 41' ' ' LEU . 2.9 pp -84.97 -15.68 43.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.761 0.315 . . . . 0.0 110.955 179.68 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.54 HD21 ' HB3' ' A' ' 51' ' ' LEU . 12.7 mt -95.49 -14.29 23.81 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 120.927 0.394 . . . . 0.0 110.534 178.673 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.592 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 4.3 t-80 -61.22 147.16 87.41 Favored Pre-proline 0 CA--C 1.531 0.223 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.675 179.899 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.592 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 39.0 Cg_endo -67.95 -9.1 24.59 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.617 2.211 . . . . 0.0 113.357 -179.366 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.437 ' HB2' ' HD1' ' A' ' 42' ' ' HIS . 0.3 OUTLIER -89.74 -23.75 21.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.676 0.274 . . . . 0.0 110.915 179.835 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.525 ' HD3' ' HB3' ' A' ' 42' ' ' HIS . 0.1 OUTLIER -101.83 30.93 4.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.818 0.342 . . . . 0.0 110.842 179.931 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.29 23.76 68.49 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.757 179.868 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -91.69 169.45 32.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.351 179.912 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.2 m -90.38 145.28 25.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 110.791 179.883 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.407 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 5.1 p-80 -80.51 -40.87 25.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.037 -179.796 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.1 -37.63 67.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.477 -179.85 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.54 ' HB3' HD21 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -66.97 -51.56 53.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.232 -179.782 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -31.72 39.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.226 -179.619 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 15.7 mm-40 -74.83 -38.22 62.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.972 0.415 . . . . 0.0 110.698 179.841 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -36.81 85.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.822 179.919 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.473 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 11.2 tp -67.49 -46.67 72.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -59.54 -24.42 63.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.167 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.8 t -78.46 -39.13 39.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.515 -179.627 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.59 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 81.0 mt -78.18 -28.39 48.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.294 -179.607 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.523 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 73.1 t-105 -83.45 -25.4 31.24 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.538 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.84 -61.65 3.96 Favored Glycine 0 C--N 1.334 0.448 0 C-N-CA 120.957 -0.639 . . . . 0.0 111.894 179.066 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.639 HG22 ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -51.96 -49.54 62.99 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 178.58 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.639 ' N ' HG22 ' A' ' 61' ' ' THR . 1.2 t80 -46.97 -51.32 17.33 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 113.089 -1.869 . . . . 0.0 109.411 177.728 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.57 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 0.3 OUTLIER -60.18 -32.89 71.5 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 114.247 -1.342 . . . . 0.0 111.061 179.818 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.422 ' HB ' ' O ' ' A' ' 61' ' ' THR . 38.9 m -49.13 -37.36 21.7 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.056 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -85.6 -30.96 22.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.648 178.075 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.57 ' HB ' ' HA ' ' A' ' 63' ' ' LYS . 96.7 t . . . . . 0 N--CA 1.455 -0.199 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.929 179.868 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.799 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.5 pt? . . . . . 0 N--CA 1.461 0.12 0 CA-C-O 121.09 0.471 . . . . 0.0 111.232 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.1 p -90.05 -176.9 5.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.557 -179.17 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -33.42 64.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.794 179.844 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.78 -46.52 71.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.458 -179.731 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.799 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 37.5 m-20 -59.52 -59.77 4.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.23 -179.699 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.578 ' N ' HD11 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -53.39 -37.7 62.7 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 121.119 0.485 . . . . 0.0 110.141 179.918 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.413 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 4.8 tt0 -70.91 -34.7 71.8 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.931 178.949 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.66 -40.25 63.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.608 179.651 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.43 HD21 ' CD2' ' A' ' 62' ' ' PHE . 2.6 tp -58.66 -40.57 83.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.694 179.666 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.459 ' CD1' ' HG3' ' A' ' 21' ' ' ARG . 48.8 mt -67.23 -41.82 85.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.144 179.933 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -54.55 -29.17 50.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.942 0.401 . . . . 0.0 110.45 179.757 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 mt -90.11 -23.98 21.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.945 179.673 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.9 mp -89.96 -2.41 58.15 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 179.823 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.406 ' HD3' ' OE1' ' A' ' 37' ' ' GLN . 0.3 OUTLIER 52.83 20.52 1.63 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.411 0.624 . . . . 0.0 110.018 -178.477 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.476 ' CD1' HD21 ' A' ' 23' ' ' LEU . 3.0 tt -106.99 108.57 62.23 Favored Pre-proline 0 N--CA 1.448 -0.55 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.843 -179.418 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.431 ' O ' HD12 ' A' ' 23' ' ' LEU . 78.4 Cg_exo -49.26 174.34 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 123.166 2.578 . . . . 0.0 114.207 -178.471 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.459 ' HG3' ' CD1' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -89.8 -15.07 33.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.643 179.067 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -66.67 -34.54 78.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.59 -178.709 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.476 HD21 ' CD1' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -103.14 8.37 38.64 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.205 -179.952 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.43 ' CH2' ' HB2' ' A' ' 10' ' ' LYS . 54.5 t-105 -53.88 90.31 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.241 179.438 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 169.09 -32.1 0.17 Allowed Glycine 0 CA--C 1.518 0.25 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.83 179.892 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -80.34 91.44 5.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.84 0.352 . . . . 0.0 111.153 -179.679 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.462 ' CE1' HG12 ' A' ' 66' ' ' VAL . 42.9 t80 -50.44 -39.55 47.89 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.458 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.64 -29.56 72.31 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.81 -179.782 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -83.14 -49.54 9.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.653 0.263 . . . . 0.0 111.212 -179.685 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -39.03 89.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.265 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -65.08 -44.51 88.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.802 0.334 . . . . 0.0 110.633 179.714 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -62.06 -39.72 93.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.351 179.494 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.93 -28.77 63.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.656 179.562 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -60.48 -45.9 92.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.638 179.671 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -71.84 -27.97 63.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.97 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -72.53 -39.31 67.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.795 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.448 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 6.6 mm100 -75.03 -19.74 59.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.933 179.677 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.1 m -71.26 -30.01 65.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.784 179.856 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.9 mt -71.77 -31.95 67.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.32 -179.77 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 1.5 pp -89.05 -17.1 30.02 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.409 -179.668 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.9 mt -95.28 9.45 39.77 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.755 0.312 . . . . 0.0 110.844 178.926 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.505 ' HD2' ' HB2' ' A' ' 44' ' ' ASP . 37.4 t60 -88.76 132.09 39.57 Favored Pre-proline 0 CA--C 1.53 0.189 0 CA-C-O 120.915 0.388 . . . . 0.0 111.043 -179.739 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_exo -43.59 -31.38 3.19 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 123.17 2.58 . . . . 0.0 113.919 -179.474 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.505 ' HB2' ' HD2' ' A' ' 42' ' ' HIS . 0.8 OUTLIER -78.95 -19.29 52.09 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -179.287 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -114.87 31.06 6.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.879 0.371 . . . . 0.0 110.66 179.692 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 62.98 102.24 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.421 -179.821 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -175.78 164.57 34.8 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.444 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.05 153.88 20.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.938 0.399 . . . . 0.0 110.934 -179.808 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -83.08 -37.49 23.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.846 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.428 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -62.29 -28.19 69.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.227 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.49 -48.64 26.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.039 0.447 . . . . 0.0 110.808 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -37.33 72.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.466 -179.644 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -81.2 -39.28 25.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.267 -179.653 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 0.5 OUTLIER -65.99 -32.96 74.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.949 0.404 . . . . 0.0 110.361 179.615 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.1 tp -67.76 -47.03 70.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.693 179.9 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -58.21 -43.5 87.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 179.931 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.49 -31.53 72.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.587 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 9.8 mt -81.11 -27.34 35.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.046 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.528 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 68.7 t-105 -87.38 -27.13 22.97 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.761 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.426 ' HA2' ' NZ ' ' A' ' 63' ' ' LYS . . . -68.26 -64.05 3.3 Favored Glycine 0 C--N 1.333 0.405 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.015 179.105 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.7 HG21 ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -51.4 -49.65 61.18 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 178.821 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.7 ' N ' HG21 ' A' ' 61' ' ' THR . 2.2 t80 -46.44 -51.57 14.87 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 113.412 -1.722 . . . . 0.0 109.43 178.058 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.572 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 0.1 OUTLIER -58.41 -35.64 72.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.331 -1.304 . . . . 0.0 111.108 179.811 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.434 ' HB ' ' O ' ' A' ' 61' ' ' THR . 58.4 m -50.51 -37.05 36.92 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 178.803 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -85.15 -30.76 23.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.499 178.541 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.572 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 72.9 t . . . . . 0 N--CA 1.454 -0.264 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.291 -179.891 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.753 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.2 pt? . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.935 0.398 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.9 p -89.99 -174.63 4.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.491 -179.182 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 7' ' ' ARG . 1.5 mmt-85 -55.74 -37.28 68.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.803 179.844 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.03 -39.29 93.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.429 -179.855 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.753 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 1.7 m-20 -69.96 -57.09 5.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.164 -179.796 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.517 ' N ' HD13 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -54.44 -39.99 67.93 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.826 0.346 . . . . 0.0 110.781 -179.627 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.492 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 16.8 tp10 -70.73 -34.54 71.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.025 179.246 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.7 ttt85 -70.14 -40.53 74.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.802 179.274 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.442 HD23 ' CD2' ' A' ' 62' ' ' PHE . 1.6 tp -60.25 -31.42 70.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.863 179.018 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.427 ' HG ' ' CZ3' ' A' ' 24' ' ' TRP . 12.1 mt -69.42 -37.67 77.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.769 179.644 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -56.35 -46.23 80.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.751 179.865 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.514 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 1.1 mt -77.61 -15.07 59.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.98 179.696 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.446 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.9 OUTLIER -90.14 -10.0 46.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.904 -179.784 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.38 19.55 3.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.309 0.576 . . . . 0.0 109.758 -178.451 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.554 ' CD1' HD23 ' A' ' 23' ' ' LEU . 3.5 tt -112.67 110.56 52.3 Favored Pre-proline 0 N--CA 1.451 -0.401 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.941 -179.074 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.5 ' O ' HD12 ' A' ' 23' ' ' LEU . 73.4 Cg_exo -48.21 169.15 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.768 2.312 . . . . 0.0 113.402 -178.833 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.32 -5.56 56.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.001 179.117 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -73.89 -35.63 64.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.115 0.483 . . . . 0.0 110.722 -179.393 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.554 HD23 ' CD1' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -101.28 11.38 39.4 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.268 179.894 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.469 ' CZ2' ' HB2' ' A' ' 10' ' ' LYS . 58.9 t-105 -53.36 98.32 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.321 179.576 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.72 -24.53 0.56 Allowed Glycine 0 C--N 1.33 0.241 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.794 179.822 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.419 ' HB3' ' HB2' ' A' ' 29' ' ' ARG . 27.4 t0 -80.37 91.57 5.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.694 0.283 . . . . 0.0 111.113 -179.781 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.444 ' HA ' ' CG ' ' A' ' 30' ' ' MET . 40.0 t80 -47.09 -47.25 23.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.806 -179.729 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.94 -35.71 77.18 Favored Glycine 0 CA--C 1.517 0.187 0 C-N-CA 120.849 -0.691 . . . . 0.0 113.381 -179.306 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.419 ' HB2' ' HB3' ' A' ' 26' ' ' ASP . 0.2 OUTLIER -78.96 -45.61 20.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.796 0.298 . . . . 0.0 111.468 -179.42 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.444 ' CG ' ' HA ' ' A' ' 27' ' ' PHE . 13.9 ptp -61.42 -42.87 99.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.586 0.231 . . . . 0.0 110.971 -179.789 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -63.39 -39.36 94.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.94 0.4 . . . . 0.0 110.391 179.722 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -59.92 -33.89 72.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.171 179.484 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.33 -43.15 19.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.554 179.498 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.482 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 13.6 t80 -54.23 -40.97 68.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.981 179.83 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -73.75 -38.96 64.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.635 179.623 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -59.38 -37.61 78.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.203 179.595 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.514 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 12.9 mm100 -87.22 -19.56 28.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.138 179.667 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.4 m -72.98 -39.23 66.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.938 0.399 . . . . 0.0 110.676 179.662 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.434 ' O ' ' HD3' ' A' ' 45' ' ' LYS . 0.5 OUTLIER -68.16 -27.1 66.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.398 -179.716 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.562 HD13 ' HG ' ' A' ' 41' ' ' LEU . 4.3 pp -90.14 -15.93 30.58 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.971 -0.291 . . . . 0.0 111.207 179.638 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.562 ' HG ' HD13 ' A' ' 40' ' ' LEU . 7.5 mt -95.42 5.72 50.86 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.167 179.299 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.448 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 20.1 t-80 -85.95 139.52 34.92 Favored Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.618 -0.264 . . . . 0.0 110.396 179.619 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.448 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 87.9 Cg_exo -45.41 -41.54 17.82 Favored 'Trans proline' 0 CA--C 1.528 0.208 0 C-N-CA 122.798 2.332 . . . . 0.0 112.892 -179.797 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.0 -10.93 60.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.712 -179.479 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.434 ' HD3' ' O ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -118.36 31.08 6.86 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.82 0.343 . . . . 0.0 111.092 -179.825 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.0 21.64 69.87 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.895 179.738 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -96.68 166.61 23.96 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.468 179.835 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.28 153.01 20.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.949 0.404 . . . . 0.0 111.012 -179.836 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.29 -49.27 11.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.675 179.757 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.7 -26.94 64.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.183 179.936 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.525 ' HB3' HD22 ' A' ' 41' ' ' LEU . 7.2 mt -71.24 -51.34 25.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.046 179.955 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.423 ' O ' ' HB2' ' A' ' 56' ' ' ASN . 3.0 tpt -51.54 -34.07 34.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.984 -179.93 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -80.38 -30.83 37.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.596 179.696 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -66.71 -54.23 25.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.887 179.879 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.482 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 9.3 tp -61.41 -42.47 98.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.74 180.0 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 52' ' ' MET . 1.2 t-20 -62.22 -35.44 78.9 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.86 0.362 . . . . 0.0 110.438 179.679 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.6 m -63.3 -40.52 97.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.512 179.66 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.611 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 3.7 mt -77.82 -29.21 50.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.612 179.556 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.658 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 70.8 t-105 -83.14 -10.2 58.78 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.077 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.453 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -85.58 -57.32 2.21 Favored Glycine 0 C--N 1.338 0.649 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 178.502 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.637 HG23 HD23 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -58.54 -50.62 73.11 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 178.104 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.541 ' N ' ' CG2' ' A' ' 61' ' ' THR . 4.0 t80 -46.28 -48.39 18.08 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 113.55 -1.659 . . . . 0.0 109.174 177.87 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.658 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 3.5 ttmt -60.23 -36.89 78.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.264 -1.335 . . . . 0.0 111.252 179.649 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.7 m -47.17 -37.93 10.98 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.36 0.6 . . . . 0.0 109.4 179.566 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -85.47 -31.79 22.62 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.186 -0.916 . . . . 0.0 109.509 178.175 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.573 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 74.8 t . . . . . 0 N--CA 1.458 -0.061 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.852 179.637 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.813 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.1 pt? . . . . . 0 N--CA 1.461 0.122 0 CA-C-O 121.071 0.462 . . . . 0.0 111.478 . . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 p -90.55 -175.27 4.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.975 -179.922 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.403 ' O ' ' HD2' ' A' ' 10' ' ' LYS . 5.3 mtt180 -54.28 -42.35 69.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 179.723 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.14 -40.96 82.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.238 -179.882 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.813 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 1.1 m-20 -66.42 -58.18 5.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.464 -179.649 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.581 ' N ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -60.89 -42.73 98.56 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.773 0.321 . . . . 0.0 110.625 -179.532 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -61.79 -26.1 67.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.31 179.15 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -86.75 -34.5 19.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.402 179.467 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.411 HD21 ' CD2' ' A' ' 62' ' ' PHE . 1.6 tp -65.32 -32.38 74.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.896 179.111 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.409 ' CD2' HD23 ' A' ' 19' ' ' LEU . 12.5 mt -68.86 -37.17 78.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.709 179.713 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -56.64 -53.63 55.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.663 179.832 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.75 -12.8 61.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.937 179.479 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.448 ' O ' ' HB1' ' A' ' 33' ' ' ALA . 0.6 OUTLIER -90.15 -9.35 48.59 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.708 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.68 19.85 1.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.278 0.561 . . . . 0.0 110.042 -178.815 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.496 ' CD1' HD22 ' A' ' 23' ' ' LEU . 3.6 tt -113.08 111.26 50.67 Favored Pre-proline 0 N--CA 1.452 -0.368 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.672 -179.286 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.535 ' O ' HD12 ' A' ' 23' ' ' LEU . 85.6 Cg_exo -46.06 166.26 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.66 2.24 . . . . 0.0 113.36 -178.727 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.38 -3.66 57.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.194 179.444 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -78.32 -32.36 49.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.921 0.391 . . . . 0.0 110.902 -179.345 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.535 HD12 ' O ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -101.42 10.95 39.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.134 179.831 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.467 ' CH2' ' HB2' ' A' ' 10' ' ' LYS . 46.2 t-105 -52.75 100.98 0.03 OUTLIER 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.288 179.599 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.92 -31.46 0.61 Allowed Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.663 179.833 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.457 ' HB3' ' HB2' ' A' ' 29' ' ' ARG . 19.1 t0 -73.96 93.75 2.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.718 0.294 . . . . 0.0 111.17 -179.906 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.473 ' CE1' HG12 ' A' ' 66' ' ' VAL . 20.4 t80 -49.37 -36.65 22.32 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.553 -179.676 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.67 -31.62 73.56 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.848 -0.691 . . . . 0.0 113.0 -179.448 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.457 ' HB2' ' HB3' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -82.85 -35.44 26.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.85 0.357 . . . . 0.0 111.238 -179.645 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.473 ' HG2' ' HA ' ' A' ' 27' ' ' PHE . 13.5 ptp -74.35 -42.89 58.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.024 -179.902 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -64.35 -47.73 78.21 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.107 -179.994 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' A' ' 29' ' ' ARG . 1.3 pt20 -57.29 -33.11 67.31 Favored 'General case' 0 C--O 1.231 0.107 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.692 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.448 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -77.4 -44.62 28.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.1 178.995 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.457 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 12.2 t80 -54.17 -37.27 64.27 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.26 179.199 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.14 -44.5 38.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.47 179.567 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -61.6 -30.0 70.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.499 179.581 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.501 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 91.9 mm-40 -87.48 -18.33 30.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.07 179.798 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.1 m -77.19 -35.04 56.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.922 0.392 . . . . 0.0 110.611 179.678 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.1 mt -62.29 -32.35 73.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.0 pp -89.18 -15.81 32.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.789 179.719 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.608 HD22 ' HB3' ' A' ' 51' ' ' LEU . 17.1 mt -94.81 -5.83 44.25 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.02 179.535 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.554 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 4.1 t-80 -68.9 138.45 90.29 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.163 179.413 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.554 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 26.1 Cg_endo -62.78 -12.69 30.14 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.531 2.154 . . . . 0.0 112.823 -179.749 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.54 -21.94 25.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.733 0.301 . . . . 0.0 110.903 179.71 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.485 ' HD3' ' HB3' ' A' ' 42' ' ' HIS . 0.9 OUTLIER -99.92 31.01 3.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.016 -179.955 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.54 45.71 75.32 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.682 179.737 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -125.52 171.59 17.44 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.491 179.835 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.413 ' CB ' HD11 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -89.99 150.56 22.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.889 0.376 . . . . 0.0 110.854 -179.975 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -79.01 -41.94 27.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.48 -36.75 76.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.61 -179.732 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.608 ' HB3' HD22 ' A' ' 41' ' ' LEU . 3.7 mp -62.28 -55.77 25.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.224 -179.62 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 7.6 tpt -56.99 -30.42 64.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.205 -179.747 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -69.83 -27.55 64.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.8 179.837 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.97 -49.24 38.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.863 179.919 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.457 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 7.9 tp -55.53 -46.38 77.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -59.17 -42.75 91.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.01 0.433 . . . . 0.0 110.705 179.78 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 t -66.08 -30.64 71.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.594 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 9.1 mt -86.28 -24.99 25.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.444 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.535 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 63.8 t-105 -89.47 -26.25 21.04 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.108 -0.331 . . . . 0.0 110.108 179.883 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.413 ' HA2' ' NZ ' ' A' ' 63' ' ' LYS . . . -68.29 -63.65 3.49 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.825 -0.702 . . . . 0.0 111.957 179.109 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.689 HG21 ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -52.83 -50.19 64.18 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 178.905 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.689 ' N ' HG21 ' A' ' 61' ' ' THR . 5.7 t80 -45.9 -49.37 15.68 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 113.436 -1.711 . . . . 0.0 109.491 177.931 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.577 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 0.2 OUTLIER -56.93 -33.46 67.01 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 114.136 -1.393 . . . . 0.0 111.145 179.724 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.412 ' HB ' ' O ' ' A' ' 61' ' ' THR . 58.1 m -50.88 -37.9 46.39 Favored 'General case' 0 CA--C 1.521 -0.152 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.887 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -85.33 -30.89 23.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.55 178.36 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.577 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 76.7 t . . . . . 0 N--CA 1.458 -0.058 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.699 179.796 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.79 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.0 pt? . . . . . 0 C--O 1.232 0.152 0 CA-C-O 121.027 0.442 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.7 p -84.14 -176.15 6.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.97 -179.369 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.48 ' HG3' ' N ' ' A' ' 8' ' ' ALA . 8.2 ptt180 -57.78 -36.6 72.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.015 -179.94 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.48 ' N ' ' HG3' ' A' ' 7' ' ' ARG . . . -64.76 -41.87 95.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.79 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 1.4 m-20 -59.37 -59.66 5.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 179.75 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.576 ' N ' HD11 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -60.59 -44.2 96.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.685 -179.975 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -63.93 -28.29 69.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.229 179.414 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -85.11 -27.85 25.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.229 179.284 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.435 HD21 ' CD2' ' A' ' 62' ' ' PHE . 1.1 tp -68.13 -30.22 69.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.048 179.39 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.587 HD12 ' HG3' ' A' ' 21' ' ' ARG . 89.2 mt -77.72 -37.4 49.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.008 -179.889 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -59.67 -36.69 76.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.861 179.797 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.6 mp -84.56 -19.88 32.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.23 179.947 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.489 HD12 HD11 ' A' ' 55' ' ' LEU . 7.2 mp -90.23 -0.58 57.69 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.87 20.39 1.61 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.294 0.569 . . . . 0.0 110.026 -178.902 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.533 ' CD1' HD22 ' A' ' 23' ' ' LEU . 4.2 tt -110.65 111.56 56.92 Favored Pre-proline 0 N--CA 1.449 -0.485 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.179 -178.891 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.501 ' O ' HD11 ' A' ' 23' ' ' LEU . 77.0 Cg_exo -47.53 168.17 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 123.156 2.57 . . . . 0.0 113.975 -178.591 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.587 ' HG3' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -90.59 -7.48 52.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.737 179.649 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -76.37 -33.86 58.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.0 0.428 . . . . 0.0 111.252 -178.76 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.533 HD22 ' CD1' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -97.21 12.64 32.14 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.53 -179.652 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.447 ' CH2' ' HB2' ' A' ' 10' ' ' LYS . 73.4 t-105 -51.88 97.19 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.234 179.492 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.23 -25.68 0.61 Allowed Glycine 0 C--N 1.332 0.358 0 C-N-CA 120.507 -0.854 . . . . 0.0 113.049 179.883 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -80.53 89.71 5.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.591 0.234 . . . . 0.0 111.147 -179.678 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.462 ' CD1' ' CG1' ' A' ' 66' ' ' VAL . 30.2 t80 -48.2 -35.81 12.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.743 0.306 . . . . 0.0 111.521 -179.788 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -64.0 -41.08 98.73 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 0.0 113.296 -179.388 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -76.21 -37.8 57.3 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -178.985 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.408 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 18.2 ptp -73.26 -40.34 64.69 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.171 -0.212 . . . . 0.0 111.025 -179.879 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -66.36 -36.98 84.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.898 0.38 . . . . 0.0 110.084 179.266 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.424 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -66.28 -36.33 82.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.932 179.13 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.63 -31.65 57.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.37 179.355 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.481 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 13.4 t80 -61.72 -45.14 95.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.513 179.644 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -41.94 78.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.016 0.436 . . . . 0.0 110.443 179.729 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -63.8 -32.2 73.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.611 179.776 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.484 ' HA ' HD23 ' A' ' 40' ' ' LEU . 98.1 mm-40 -90.0 -21.12 22.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.811 179.914 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.2 m -69.81 -37.17 76.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.029 0.442 . . . . 0.0 110.27 179.223 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.8 mt -61.38 -50.35 73.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.841 179.911 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 37' ' ' GLN . 2.6 pp -64.42 -20.69 66.31 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.421 HD21 ' HB3' ' A' ' 51' ' ' LEU . 34.0 mt -95.72 9.08 41.59 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.796 179.249 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.463 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 3.8 t60 -85.27 131.63 47.67 Favored Pre-proline 0 CA--C 1.53 0.186 0 CA-C-O 120.613 0.244 . . . . 0.0 110.713 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.463 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 75.2 Cg_exo -45.61 -16.3 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.852 2.368 . . . . 0.0 113.614 -179.982 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -92.4 -28.75 16.68 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.785 0.326 . . . . 0.0 111.067 -179.818 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp -98.41 29.02 3.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.058 -179.807 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 59.66 89.38 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.428 -179.909 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -154.07 164.93 31.56 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.581 -179.887 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.7 m -87.96 151.61 22.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.851 0.358 . . . . 0.0 110.965 -179.875 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -80.07 -35.99 36.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.777 179.955 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.79 -21.84 66.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.382 -179.886 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.421 ' HB3' HD21 ' A' ' 41' ' ' LEU . 0.5 OUTLIER -86.05 -49.34 7.87 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.976 0.417 . . . . 0.0 110.447 179.735 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -31.05 65.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.278 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -83.07 -38.06 23.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -36.14 83.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.988 0.423 . . . . 0.0 110.225 179.509 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.489 HD11 HD12 ' A' ' 17' ' ' LEU . 9.0 tp -67.82 -46.56 71.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.633 179.732 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -61.85 -39.37 91.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.954 179.921 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.63 -32.42 60.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.742 179.752 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.597 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 13.1 mt -78.94 -29.12 43.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.21 -179.698 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.57 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 63.2 t-105 -88.87 -25.73 21.99 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 179.77 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.41 ' HA2' ' HZ3' ' A' ' 63' ' ' LYS . . . -70.2 -63.73 3.16 Favored Glycine 0 C--N 1.335 0.504 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.99 179.031 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.651 HG21 ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -51.1 -49.37 60.84 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 178.779 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.651 ' N ' HG21 ' A' ' 61' ' ' THR . 7.2 t80 -46.48 -56.38 6.04 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 113.221 -1.809 . . . . 0.0 109.289 177.556 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.57 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -53.52 -38.31 63.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.53 -1.214 . . . . 0.0 111.237 179.378 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.418 ' HB ' ' O ' ' A' ' 61' ' ' THR . 28.5 m -47.95 -41.14 24.22 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 121.268 0.556 . . . . 0.0 109.519 179.098 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -83.57 -28.33 28.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.833 178.62 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.565 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 71.9 t . . . . . 0 N--CA 1.456 -0.172 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.068 -179.879 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.676 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 121.087 0.47 . . . . 0.0 111.732 . . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.6 p -85.92 -169.15 2.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.807 -179.976 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.8 tpp85 -63.19 -37.06 85.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.958 179.882 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.6 -25.1 61.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.745 -179.594 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.676 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 7.3 m-20 -86.27 -49.2 7.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.582 0.23 . . . . 0.0 110.822 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.494 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -56.77 -44.01 81.39 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.953 0.406 . . . . 0.0 110.054 179.442 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.21 -30.77 71.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.992 179.008 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -68.38 -40.7 81.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.767 179.021 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.401 HD21 ' CD2' ' A' ' 62' ' ' PHE . 1.4 tp -56.37 -31.44 63.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.086 179.103 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.461 ' CD2' HD22 ' A' ' 19' ' ' LEU . 12.7 mt -70.31 -48.53 56.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.889 179.712 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -49.57 -29.16 6.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.98 0.419 . . . . 0.0 110.666 179.788 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.1 mp -87.65 -22.9 24.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.265 179.798 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.411 HD13 HD11 ' A' ' 55' ' ' LEU . 6.6 mp -88.28 0.34 56.25 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 179.572 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 54.4 19.05 2.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.379 0.609 . . . . 0.0 110.042 -178.893 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.461 HD22 ' CD2' ' A' ' 14' ' ' LEU . 1.9 tt -109.78 110.27 59.31 Favored Pre-proline 0 N--CA 1.448 -0.533 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.835 -179.244 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.483 ' O ' HD13 ' A' ' 23' ' ' LEU . 84.0 Cg_exo -46.19 168.24 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.88 2.386 . . . . 0.0 113.699 -178.604 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 26.1 mtm105 -90.32 -3.3 57.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.041 179.291 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -80.85 -29.44 35.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.874 0.369 . . . . 0.0 111.482 -178.776 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.483 HD13 ' O ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -105.1 11.65 32.99 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.275 179.992 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.494 ' CH2' ' HB2' ' A' ' 10' ' ' LYS . 27.9 t-105 -54.91 114.68 1.83 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.019 179.424 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 139.87 -26.78 2.6 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.493 -179.925 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -79.09 88.49 4.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.674 0.273 . . . . 0.0 111.066 -179.86 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.498 ' HA ' ' CG ' ' A' ' 30' ' ' MET . 5.4 t80 -45.7 -32.5 2.47 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.803 -179.695 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.67 -33.23 71.29 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.896 -179.569 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.1 mtp180 -84.41 -36.09 22.64 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.565 0.209 . . . . 0.0 111.565 -179.341 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.498 ' CG ' ' HA ' ' A' ' 27' ' ' PHE . 15.4 ptp -74.24 -44.85 51.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.751 -0.204 . . . . 0.0 111.233 -179.729 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -64.89 -44.29 90.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.908 0.385 . . . . 0.0 110.498 179.669 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -34.16 72.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.147 179.384 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.05 -30.58 39.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.442 179.497 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.431 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 12.8 t80 -61.36 -48.14 82.65 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.343 179.614 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.6 -45.23 91.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.569 179.729 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.56 -30.86 68.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.888 179.864 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -90.19 -24.67 20.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.084 179.872 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.7 m -79.71 -35.14 39.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.849 0.357 . . . . 0.0 110.794 179.948 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.471 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 2.7 mt -64.89 -24.68 67.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.168 -179.804 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 pp -90.16 -28.7 18.74 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.233 -179.885 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.4 mt -93.4 23.02 4.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.947 0.403 . . . . 0.0 110.59 179.21 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.46 ' ND1' ' HD2' ' A' ' 43' ' ' PRO . 86.3 t60 -90.18 137.62 27.75 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.669 179.855 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.46 ' HD2' ' ND1' ' A' ' 42' ' ' HIS . 91.1 Cg_exo -41.87 -53.37 3.45 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.863 2.375 . . . . 0.0 113.225 -179.799 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.406 ' HB2' ' CD2' ' A' ' 42' ' ' HIS . 6.6 m-20 -67.57 -11.6 58.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.687 -179.626 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 39' ' ' LEU . 10.1 mmtm -113.9 31.02 6.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.783 0.325 . . . . 0.0 110.779 179.927 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 57.45 63.68 5.07 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 179.964 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -128.56 163.0 22.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 -179.924 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.6 m -90.13 152.84 20.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 111.138 -179.878 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.56 -44.86 18.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.739 179.803 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.431 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -60.41 -27.01 67.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.183 -179.949 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.73 -48.98 13.86 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.101 -179.916 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -45.38 87.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.208 -179.628 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -69.47 -35.87 76.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.24 -179.6 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -63.65 -46.74 84.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.097 0.475 . . . . 0.0 110.351 179.707 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.431 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 12.6 tp -68.13 -43.29 78.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.948 -179.919 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.09 -33.04 72.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.904 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.4 -36.89 45.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.737 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.496 ' O ' HD21 ' A' ' 5' ' ' LEU . 0.5 OUTLIER -77.52 -25.45 50.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 179.804 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.526 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 61.2 t-105 -90.87 -25.57 19.78 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.434 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.415 ' HA2' ' NZ ' ' A' ' 63' ' ' LYS . . . -67.71 -68.6 1.6 Allowed Glycine 0 C--N 1.336 0.566 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.824 179.857 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.553 ' CG2' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -50.47 -48.86 56.45 Favored 'General case' 0 CA--C 1.51 -0.562 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 179.276 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.516 ' N ' ' CG2' ' A' ' 61' ' ' THR . 5.6 t80 -44.45 -52.48 7.81 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 113.395 -1.729 . . . . 0.0 109.347 177.597 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.614 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 0.1 OUTLIER -55.73 -41.74 74.33 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 114.08 -1.418 . . . . 0.0 111.011 179.382 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.411 ' HB ' ' O ' ' A' ' 61' ' ' THR . 94.8 m -51.3 -35.59 38.52 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 178.891 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.32 -31.99 22.72 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.589 178.318 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.614 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 50.1 t . . . . . 0 C--O 1.231 0.088 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.822 -179.952 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.766 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.125 0.488 . . . . 0.0 111.582 . . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.2 p -88.87 177.51 6.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.295 -178.813 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.438 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 36.3 ttm180 -50.84 -35.19 31.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.049 -179.93 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.92 -44.24 70.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.635 -179.692 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.766 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 42.9 m-20 -73.91 -43.38 58.58 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 121.097 -0.241 . . . . 0.0 111.258 -179.541 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 11' ' ' GLU . 4.3 pttp -67.77 -33.93 75.8 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.877 0.37 . . . . 0.0 110.3 179.501 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.445 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 23.5 tp10 -65.62 -34.83 79.15 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.112 0.482 . . . . 0.0 109.716 178.908 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.481 ' O ' HD13 ' A' ' 16' ' ' LEU . 16.9 tpt180 -66.46 -34.43 77.92 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.662 179.014 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 tp -62.46 -31.74 72.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.124 179.291 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.452 ' HG ' ' CZ3' ' A' ' 24' ' ' TRP . 13.2 mt -75.04 -39.31 61.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.89 179.624 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.1 -41.13 67.94 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.021 -179.75 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.481 HD13 ' O ' ' A' ' 12' ' ' ARG . 8.4 mp -79.15 -16.26 56.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.632 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.456 ' N ' HD22 ' A' ' 17' ' ' LEU . 3.2 mm? -90.2 -9.37 48.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.972 -179.77 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.22 20.84 1.99 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 121.351 0.596 . . . . 0.0 109.931 -178.637 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.455 HD11 HD23 ' A' ' 23' ' ' LEU . 3.1 tt -111.01 111.09 56.44 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.082 -179.016 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.537 ' O ' HD13 ' A' ' 23' ' ' LEU . 87.9 Cg_exo -43.98 166.92 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.919 2.413 . . . . 0.0 113.575 -178.828 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.2 -9.21 48.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.425 179.607 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -71.95 -35.27 69.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.151 0.501 . . . . 0.0 110.911 -179.215 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.537 HD13 ' O ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -98.5 8.67 44.59 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.26 179.81 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.452 ' CZ3' ' HG ' ' A' ' 14' ' ' LEU . 37.4 t-105 -52.6 100.46 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.019 179.417 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 158.66 -25.02 0.36 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.603 -179.938 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -79.66 89.03 5.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.754 0.312 . . . . 0.0 111.078 -179.817 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.454 ' CD1' HG12 ' A' ' 66' ' ' VAL . 35.7 t80 -47.75 -49.14 29.29 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.091 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.485 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -57.41 -33.63 66.55 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.598 -179.876 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.16 -46.72 14.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.643 0.258 . . . . 0.0 111.634 -179.624 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.5 ptm -69.36 -44.57 71.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.45 -179.456 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -61.47 -42.72 99.22 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.529 179.701 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.486 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -54.92 -43.88 73.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.83 0.348 . . . . 0.0 110.371 179.647 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.91 -34.03 75.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.748 179.524 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.496 ' CE2' ' CG ' ' A' ' 59' ' ' TRP . 8.9 t80 -54.55 -38.64 66.86 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.681 179.573 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.82 -37.05 41.63 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.288 -179.828 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' A' ' 32' ' ' GLN . 47.0 mm-40 -61.6 -45.7 92.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.857 0.36 . . . . 0.0 110.87 -179.847 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 23.4 mm100 -80.73 -19.21 45.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.048 179.936 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.1 m -71.99 -34.77 69.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.998 0.428 . . . . 0.0 110.161 179.269 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 60.2 mt -66.02 -38.31 88.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.872 179.891 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.4 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -81.11 -14.92 57.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.034 179.666 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.5 mt -95.46 6.08 49.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.463 179.532 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.461 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 19.9 t-80 -87.9 136.15 32.79 Favored Pre-proline 0 C--N 1.332 -0.181 0 CA-C-O 120.719 0.295 . . . . 0.0 110.503 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.461 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 87.9 Cg_exo -45.76 -33.68 10.71 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.988 2.459 . . . . 0.0 113.25 -179.582 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.01 -12.92 60.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.602 -179.305 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -120.89 30.99 6.6 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.765 0.317 . . . . 0.0 111.079 -179.933 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 60.74 54.62 35.46 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.579 179.86 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -116.83 169.57 13.1 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.41 179.896 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.06 149.21 22.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.9 0.381 . . . . 0.0 110.942 -179.917 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -83.3 -37.75 23.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.861 179.908 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.502 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -72.39 -28.82 63.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.492 -179.761 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.402 HD23 HD23 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -73.99 -49.79 22.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.854 0.359 . . . . 0.0 111.038 -179.784 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.57 -38.4 74.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.378 -179.705 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -78.32 -32.19 49.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.984 -179.857 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.502 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 1.1 tp10 -64.77 -49.02 72.37 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.091 0.472 . . . . 0.0 110.09 179.224 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.432 HD22 ' CE2' ' A' ' 34' ' ' TYR . 10.1 tp -61.6 -39.24 90.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.817 179.853 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -60.64 -33.01 72.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.804 179.99 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.77 -36.59 62.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -179.902 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.45 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 17.5 mt -79.62 -28.67 40.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.833 179.933 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.667 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 71.5 t-105 -89.81 -18.61 25.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.025 179.53 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.21 -60.88 3.16 Favored Glycine 0 C--N 1.334 0.45 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.082 179.382 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.555 ' CG2' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -56.93 -50.18 73.35 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 179.434 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.756 ' O ' ' HG3' ' A' ' 65' ' ' GLU . 4.7 t80 -45.18 -49.66 11.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 113.442 -1.708 . . . . 0.0 109.679 178.038 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.667 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 1.7 ttmt -57.58 -40.26 78.61 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.729 179.54 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 61' ' ' THR . 86.9 m -53.12 -44.4 67.64 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 178.871 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.756 ' HG3' ' O ' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -82.91 -19.25 37.67 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.246 178.645 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.547 ' HB ' ' HA ' ' A' ' 63' ' ' LYS . 6.4 t . . . . . 0 C--N 1.339 0.127 0 CA-C-O 120.784 0.326 . . . . 0.0 110.449 179.605 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.713 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 1.9 pt? . . . . . 0 C--O 1.23 0.075 0 CA-C-O 121.004 0.43 . . . . 0.0 110.578 . . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.9 p -76.64 173.18 11.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.419 -178.85 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -50.27 -33.67 20.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.736 179.834 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.443 ' O ' ' HB2' ' A' ' 12' ' ' ARG . . . -69.86 -26.16 64.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.193 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.713 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 2.0 m-20 -82.7 -55.41 4.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.05 -179.855 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -40.33 87.81 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.908 0.385 . . . . 0.0 110.24 179.844 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -68.98 -31.19 69.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.065 179.13 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.443 ' HB2' ' O ' ' A' ' 8' ' ' ALA . 13.3 ttm-85 -73.97 -36.81 64.59 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.071 179.184 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.415 HD22 ' CD2' ' A' ' 62' ' ' PHE . 2.6 tp -63.22 -38.02 89.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.919 178.977 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.442 HD22 HD21 ' A' ' 19' ' ' LEU . 14.6 mt -63.72 -47.81 79.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.831 179.827 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -58.84 -23.62 60.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.981 179.855 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.402 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 9.0 mt -89.91 -30.47 17.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.965 -179.862 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.8 mp -85.65 -0.23 54.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.297 -0.411 . . . . 0.0 112.053 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.44 18.89 1.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.219 0.533 . . . . 0.0 110.435 -179.062 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.573 ' HG ' ' CD1' ' A' ' 23' ' ' LEU . 3.5 tt -104.56 110.79 64.83 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.876 -179.178 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.449 ' O ' HD21 ' A' ' 19' ' ' LEU . 53.0 Cg_exo -52.67 176.61 0.07 OUTLIER 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.902 2.401 . . . . 0.0 112.775 -179.582 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 46.5 mtp85 -80.76 -26.65 37.15 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.061 -179.475 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.26 -11.71 10.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.934 -179.687 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.573 ' CD1' ' HG ' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -128.67 20.92 6.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.097 0.475 . . . . 0.0 110.538 179.969 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 36.9 t-105 -53.25 -17.86 2.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.268 179.791 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -101.16 -19.72 15.89 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.294 179.363 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -63.93 89.96 0.06 Allowed 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.945 0.403 . . . . 0.0 110.8 179.945 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -59.3 -42.1 90.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.372 -179.596 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.11 -32.0 82.7 Favored Glycine 0 CA--C 1.518 0.261 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.919 -179.563 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.23 -45.68 25.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.784 0.326 . . . . 0.0 111.232 -179.589 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.423 ' CA ' HD11 ' A' ' 19' ' ' LEU . 11.4 ptp -63.67 -43.37 96.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.131 -179.685 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -61.82 -37.79 85.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 0.0 110.342 179.69 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -66.7 -36.04 81.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.176 179.451 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.14 -32.31 33.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.57 179.559 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.467 ' CE2' ' CG ' ' A' ' 59' ' ' TRP . 7.8 t80 -61.44 -46.36 90.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.295 179.587 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.0 tttp -68.58 -40.04 80.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.504 179.704 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -67.13 -33.25 75.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.614 179.62 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 27.4 mm100 -86.35 -22.95 26.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.145 -179.882 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.64 -28.49 66.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.572 179.525 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.403 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 1.3 mt -77.21 -45.94 24.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.218 -179.703 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.438 ' HA ' ' HB3' ' A' ' 45' ' ' LYS . 3.4 pp -75.29 -8.86 57.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.671 0.272 . . . . 0.0 111.443 -179.796 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.7 mt -95.28 3.41 54.54 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.15 179.38 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.438 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 25.3 t60 -90.1 140.18 27.37 Favored Pre-proline 0 CA--C 1.531 0.23 0 CA-C-O 120.735 0.302 . . . . 0.0 110.587 179.766 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.438 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 82.0 Cg_exo -45.45 -25.82 2.39 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 123.143 2.562 . . . . 0.0 113.975 -179.411 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.31 -22.86 32.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.588 0.232 . . . . 0.0 111.512 -179.257 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.438 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -108.71 30.43 6.51 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.845 0.355 . . . . 0.0 110.79 -179.752 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.11 52.23 28.94 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.5 179.852 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -127.42 161.31 21.54 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.574 179.913 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.15 151.36 21.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.759 0.314 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -70.69 -47.02 61.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.662 179.68 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.505 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -65.41 -35.23 80.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.18 179.961 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.9 mt -66.26 -52.95 42.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.374 -179.628 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -45.69 64.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 0.0 111.127 -179.867 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -73.44 -30.52 63.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.769 179.801 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.505 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 9.8 tt0 -63.07 -33.56 75.71 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.971 0.415 . . . . 0.0 110.154 179.403 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.417 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 10.8 tp -69.46 -46.39 66.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.657 179.791 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -62.97 -34.1 76.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.679 179.82 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 73.2 m -74.95 -33.3 61.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.547 179.722 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.613 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 22.5 mt -83.28 -29.58 28.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.516 179.716 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.59 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 70.6 t-105 -83.11 -13.39 55.74 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.912 179.502 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -80.73 -63.92 1.86 Allowed Glycine 0 C--N 1.338 0.646 0 C-N-CA 121.02 -0.61 . . . . 0.0 111.78 179.069 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.583 ' CG2' HD23 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -53.46 -50.31 65.58 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 107.459 -1.312 . . . . 0.0 107.459 178.877 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.558 ' N ' ' CG2' ' A' ' 61' ' ' THR . 2.7 t80 -44.85 -50.27 10.4 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 113.464 -1.698 . . . . 0.0 109.517 178.013 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.59 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 2.2 ttmt -58.84 -38.83 79.58 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.288 -1.324 . . . . 0.0 111.163 179.543 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 44.0 m -46.9 -37.72 9.34 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.155 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -85.58 -32.23 22.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.668 178.416 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.545 ' HB ' ' HA ' ' A' ' 63' ' ' LYS . 72.5 t . . . . . 0 N--CA 1.456 -0.159 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.3 -179.785 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.748 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.212 0.529 . . . . 0.0 111.738 . . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.3 p -89.43 -169.02 2.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.016 -179.372 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.5 mtt-85 -64.44 -34.28 77.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.591 179.83 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.66 -37.56 76.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.355 -179.78 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.748 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -79.33 -51.5 9.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.618 -0.264 . . . . 0.0 110.984 -179.8 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.491 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -57.33 -33.12 67.4 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.032 0.444 . . . . 0.0 109.897 179.374 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.7 tp10 -70.76 -31.29 68.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.464 178.439 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 ttt85 -63.7 -35.88 82.02 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.733 178.908 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.449 ' HB2' ' HB3' ' A' ' 58' ' ' LEU . 3.1 tp -64.53 -37.22 86.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.741 179.108 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.42 ' CD2' HD22 ' A' ' 19' ' ' LEU . 15.7 mt -66.75 -41.28 88.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.142 179.999 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -54.22 -44.99 72.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.735 -179.995 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.442 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 0.9 OUTLIER -81.81 -15.9 52.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.996 179.834 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.537 HD12 ' HB1' ' A' ' 33' ' ' ALA . 0.7 OUTLIER -89.58 -4.39 57.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.641 -179.573 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 52.93 19.07 1.21 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.282 0.563 . . . . 0.0 110.598 -179.061 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.479 ' CD2' ' CD2' ' A' ' 23' ' ' LEU . 5.4 tt -113.31 110.32 50.78 Favored Pre-proline 0 N--CA 1.449 -0.512 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.813 -179.626 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.471 ' O ' HD12 ' A' ' 23' ' ' LEU . 50.6 Cg_exo -52.25 170.81 0.22 Allowed 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.673 2.249 . . . . 0.0 113.448 -178.7 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.34 -9.0 54.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.768 179.1 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.16 -34.07 74.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.067 -179.271 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.479 ' CD2' ' CD2' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -105.7 11.42 32.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.088 179.879 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.491 ' CZ2' ' HD2' ' A' ' 10' ' ' LYS . 63.4 t-105 -49.37 100.85 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.29 179.441 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.19 -22.97 0.87 Allowed Glycine 0 CA--C 1.521 0.419 0 C-N-CA 120.768 -0.73 . . . . 0.0 113.017 179.953 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.404 ' O ' ' HG2' ' A' ' 30' ' ' MET . 12.9 t0 -78.58 88.46 4.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.624 0.249 . . . . 0.0 111.155 -179.748 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.481 ' CD1' HG12 ' A' ' 66' ' ' VAL . 14.0 t80 -49.94 -36.35 27.54 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.974 -179.62 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.22 -39.72 94.56 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.769 -0.729 . . . . 0.0 113.228 -179.283 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.49 -43.59 26.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.682 0.241 . . . . 0.0 111.615 -179.277 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.437 ' CG ' ' HA ' ' A' ' 27' ' ' PHE . 13.3 ptp -62.04 -44.82 95.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.673 0.273 . . . . 0.0 110.948 -179.746 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -63.14 -37.71 88.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.427 179.688 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.7 tp60 -60.51 -32.95 71.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.329 179.501 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.537 ' HB1' HD12 ' A' ' 17' ' ' LEU . . . -80.59 -42.06 22.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.505 179.453 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.513 ' CE2' ' CD1' ' A' ' 59' ' ' TRP . 8.5 t80 -51.33 -41.78 60.8 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-O 121.11 0.481 . . . . 0.0 109.821 179.066 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? -73.18 -34.24 65.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.314 179.429 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -61.77 -41.15 97.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.637 179.774 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 0.8 OUTLIER -83.93 -22.75 31.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.079 179.78 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.3 m -64.07 -28.35 69.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.028 179.81 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.416 ' HA ' HD23 ' A' ' 39' ' ' LEU . 17.9 mt -79.64 -31.65 41.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.497 -179.6 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.419 ' HG ' ' HA ' ' A' ' 37' ' ' GLN . 1.6 pp -89.16 -15.45 33.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.367 179.893 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 23.1 mt -94.2 -5.0 47.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.782 0.325 . . . . 0.0 110.699 179.151 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.476 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 26.1 t-80 -56.6 140.74 73.97 Favored Pre-proline 0 CA--C 1.531 0.245 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.32 179.384 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.476 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 36.2 Cg_endo -65.28 -18.04 59.75 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.566 2.177 . . . . 0.0 113.357 -179.029 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -85.81 -18.35 33.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.682 0.277 . . . . 0.0 111.329 -179.973 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.457 ' HG2' ' HB3' ' A' ' 42' ' ' HIS . 6.9 mmtt -100.94 31.24 3.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.9 0.381 . . . . 0.0 110.939 -179.648 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.65 45.69 93.93 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.675 179.845 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -107.19 175.34 20.43 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.324 179.845 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.13 145.75 24.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.444 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 1.8 m80 -82.92 -47.32 11.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 179.951 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.39 -25.42 68.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.5 -179.878 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.7 mt -76.97 -48.65 17.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.869 0.366 . . . . 0.0 111.092 -179.842 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.62 -40.22 38.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.351 -179.699 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -71.46 -29.83 65.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.728 179.886 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.38 -48.78 76.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.477 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 13.2 tp -63.28 -34.3 77.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.105 -179.755 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -69.94 -32.55 70.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.106 -179.914 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 54.7 p -74.87 -46.2 37.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.254 -179.726 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.468 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 5.4 mt -69.45 -29.28 66.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.01 -179.852 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.547 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 69.4 t-105 -89.37 -19.02 25.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.135 179.956 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.08 -66.5 1.96 Allowed Glycine 0 C--N 1.335 0.505 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.121 179.438 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.544 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -52.77 -49.84 64.74 Favored 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 179.277 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.544 ' N ' ' CG2' ' A' ' 61' ' ' THR . 4.5 t80 -43.78 -49.59 8.0 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 113.553 -1.658 . . . . 0.0 109.358 177.852 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.565 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 1.7 ttmt -57.26 -41.09 79.01 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.11 -1.404 . . . . 0.0 111.1 179.387 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 61' ' ' THR . 90.7 m -46.33 -37.35 7.33 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 121.282 0.563 . . . . 0.0 109.526 179.279 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -85.48 -32.83 22.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.757 178.43 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.565 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 69.6 t . . . . . 0 C--N 1.334 -0.071 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.087 -179.933 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.739 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.2 pt? . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.98 0.419 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.6 p -89.4 -177.3 5.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.506 -178.891 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.99 -34.4 65.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.87 179.889 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.11 -42.01 94.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.742 179.721 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.739 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 1.0 OUTLIER -64.78 -56.5 13.19 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.054 179.919 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.655 ' N ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -59.6 -40.86 88.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.858 0.361 . . . . 0.0 110.653 -179.709 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.423 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 2.5 mm-40 -64.67 -32.22 73.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.177 179.161 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -79.25 -36.92 39.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.158 179.307 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.431 HD22 ' CD2' ' A' ' 62' ' ' PHE . 2.5 tp -59.85 -32.7 70.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.113 179.233 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.535 ' CD1' ' HG2' ' A' ' 21' ' ' ARG . 26.5 mt -72.33 -42.61 65.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.175 -179.821 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -51.64 -36.59 46.72 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.067 0.46 . . . . 0.0 110.442 179.665 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.475 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 8.6 mp -86.1 -19.06 30.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.966 179.487 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.46 ' N ' HD21 ' A' ' 17' ' ' LEU . 3.5 mm? -89.89 -7.09 55.02 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.301 -0.409 . . . . 0.0 112.051 -179.859 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 mttp 55.19 19.1 2.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.268 0.556 . . . . 0.0 110.315 -178.924 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.515 HD11 ' HA ' ' A' ' 30' ' ' MET . 3.8 tt -108.18 107.41 60.18 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.017 -179.383 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.439 ' O ' HD11 ' A' ' 23' ' ' LEU . 88.0 Cg_exo -47.21 169.91 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.217 2.612 . . . . 0.0 114.105 -178.672 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.535 ' HG2' ' CD1' ' A' ' 14' ' ' LEU . 4.3 mtm105 -88.87 -3.12 58.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.118 179.388 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.97 -27.6 33.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.957 0.408 . . . . 0.0 111.232 -178.849 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.512 HD22 HD23 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -112.78 14.99 19.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.365 -179.864 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.472 ' CE3' HD11 ' A' ' 14' ' ' LEU . 55.6 t-105 -52.93 102.44 0.05 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.426 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 151.99 -20.27 0.87 Allowed Glycine 0 CA--C 1.521 0.446 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.986 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -75.92 88.57 2.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.648 0.261 . . . . 0.0 111.164 -179.831 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.455 ' CD1' HG11 ' A' ' 66' ' ' VAL . 23.6 t80 -51.93 -29.24 19.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.83 -179.737 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.37 -43.14 39.22 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 113.306 -179.308 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 84.4 mtt-85 -76.12 -35.87 59.1 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -179.263 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.515 ' HA ' HD11 ' A' ' 19' ' ' LEU . 13.8 ptp -67.34 -43.34 81.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.685 0.279 . . . . 0.0 111.054 -179.951 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -64.03 -33.68 76.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.901 0.381 . . . . 0.0 110.155 179.359 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -62.88 -38.04 89.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.207 179.346 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.47 -41.57 46.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.666 179.563 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.42 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 14.9 t80 -53.03 -47.07 68.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.813 179.636 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.87 -38.06 76.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.019 -179.925 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.1 mm100 -64.91 -55.36 19.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.775 179.947 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 14.7 mm100 -69.33 -17.91 63.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.119 179.86 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.71 -28.59 68.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.991 0.424 . . . . 0.0 110.266 179.135 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 81.2 mt -71.4 -37.94 71.49 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.964 179.877 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 0.4 OUTLIER -84.89 -10.77 56.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.653 -179.89 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 31.4 mt -94.3 1.31 55.94 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.7 0.286 . . . . 0.0 111.312 179.559 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.464 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 7.1 t60 -82.81 140.92 43.79 Favored Pre-proline 0 C--N 1.332 -0.195 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.184 179.641 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.464 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 20.5 Cg_endo -62.64 -9.13 14.94 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.461 2.107 . . . . 0.0 113.01 -179.463 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -93.09 -27.08 17.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.774 0.321 . . . . 0.0 110.766 179.628 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.09 29.08 4.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.747 179.825 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 62.57 82.45 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.47 -179.913 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -155.52 -177.89 29.2 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.492 179.958 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.26 136.14 33.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.854 0.359 . . . . 0.0 110.801 -179.959 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 58.3 m80 -67.61 -42.39 82.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.925 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.34 -34.98 77.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 -179.949 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.0 mt -60.22 -49.14 78.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.844 -179.958 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 11.0 tpt -53.09 -38.52 62.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.803 179.79 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -76.07 -30.72 58.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.81 179.825 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -61.62 -53.04 61.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.665 179.898 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.42 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 11.6 tp -58.42 -47.43 83.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.062 179.793 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.67 -45.22 89.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.905 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.7 m -72.89 -32.51 65.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.63 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 10.0 mt -81.16 -22.78 38.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 -179.941 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.51 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 58.9 t-105 -90.47 -26.62 19.72 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 179.851 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.432 ' HA2' ' NZ ' ' A' ' 63' ' ' LYS . . . -68.94 -65.33 2.66 Favored Glycine 0 C--N 1.333 0.41 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.047 179.344 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.531 HG22 ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -50.71 -49.53 57.42 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 178.821 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.531 ' N ' HG22 ' A' ' 61' ' ' THR . 5.6 t80 -45.62 -53.82 8.61 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 113.459 -1.7 . . . . 0.0 109.34 177.588 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.552 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 0.2 OUTLIER -53.2 -39.28 63.57 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.167 -1.379 . . . . 0.0 111.246 179.624 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.423 ' HB ' ' O ' ' A' ' 61' ' ' THR . 89.3 m -49.94 -37.61 32.73 Favored 'General case' 0 CA--C 1.521 -0.158 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 178.807 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -85.3 -29.74 24.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.878 178.305 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.552 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 83.9 t . . . . . 0 N--CA 1.456 -0.173 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.404 -179.73 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.713 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 1.6 pt? . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.967 0.413 . . . . 0.0 110.411 . . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.3 p -65.58 177.15 1.26 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.527 -178.841 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -56.2 -36.48 68.45 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.424 179.724 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.52 -39.31 88.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.948 179.767 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.713 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 10.0 m-20 -70.85 -56.28 6.65 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.98 -179.799 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 11' ' ' GLU . 6.9 ptmt -57.75 -35.65 71.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.615 -179.891 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.437 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 4.5 mm-40 -73.48 -33.15 64.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.067 0.461 . . . . 0.0 109.831 178.857 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 -68.66 -26.95 65.57 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.112 179.044 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.463 HD21 ' CD2' ' A' ' 62' ' ' PHE . 2.7 tp -72.32 -35.37 68.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.782 179.068 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.48 ' CD2' HD23 ' A' ' 19' ' ' LEU . 13.5 mt -69.25 -38.69 78.59 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.839 179.788 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -55.25 37.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.741 179.903 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.568 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -70.69 -11.36 60.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.163 179.89 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.465 HD13 ' N ' ' A' ' 34' ' ' TYR . 1.1 mm? -90.14 -7.69 53.07 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.749 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.93 19.5 2.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.217 0.532 . . . . 0.0 110.286 -178.744 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.513 ' CD1' HD22 ' A' ' 23' ' ' LEU . 6.4 tt -113.01 113.26 49.58 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.571 -179.574 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.512 ' O ' HD12 ' A' ' 23' ' ' LEU . 84.0 Cg_exo -46.48 166.07 0.08 OUTLIER 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.92 2.413 . . . . 0.0 113.582 -178.531 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.421 ' CG ' HD13 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -90.16 -3.3 57.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.192 179.401 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -78.96 -32.53 45.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.038 0.447 . . . . 0.0 111.065 -178.956 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.513 HD22 ' CD1' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -101.06 15.16 29.62 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.991 179.983 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 53.6 t-105 -54.84 98.37 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.195 179.533 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 156.41 -28.73 0.56 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.552 -0.832 . . . . 0.0 112.91 179.873 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -75.85 95.29 3.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.74 0.305 . . . . 0.0 111.285 -179.714 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.464 ' CD1' HG12 ' A' ' 66' ' ' VAL . 35.3 t80 -52.05 -33.62 39.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.58 -179.831 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.13 -34.16 80.42 Favored Glycine 0 CA--C 1.517 0.198 0 C-N-CA 120.731 -0.747 . . . . 0.0 113.141 -179.407 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.458 ' HB3' HD13 ' A' ' 19' ' ' LEU . 7.4 mtt85 -80.98 -46.19 15.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.813 0.307 . . . . 0.0 111.333 -179.626 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.413 ' HG2' ' HA ' ' A' ' 27' ' ' PHE . 16.1 ptp -59.69 -45.62 91.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.684 0.278 . . . . 0.0 110.933 -179.864 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -63.22 -43.44 98.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.368 179.668 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -55.78 -34.31 65.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.184 0.516 . . . . 0.0 110.088 179.214 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.1 -48.09 13.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.31 179.277 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.465 ' N ' HD13 ' A' ' 17' ' ' LEU . 15.3 t80 -47.55 -43.84 25.44 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.26 179.853 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -74.32 -36.54 63.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.936 0.398 . . . . 0.0 110.752 179.982 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -36.65 84.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.673 179.858 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.568 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 21.7 mm100 -90.13 -19.25 24.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.21 -179.929 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.3 m -75.27 -29.98 60.3 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.903 0.383 . . . . 0.0 110.664 179.57 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.9 mt -64.4 -31.79 73.15 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.126 -179.823 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.0 pp -88.15 -18.39 28.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.844 179.928 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.3 mt -88.22 13.06 12.24 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 120.76 0.314 . . . . 0.0 111.001 179.24 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.447 ' ND1' ' HD2' ' A' ' 43' ' ' PRO . 49.6 t60 -89.58 130.92 41.6 Favored Pre-proline 0 CA--C 1.53 0.199 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.358 179.767 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.447 ' HD2' ' ND1' ' A' ' 42' ' ' HIS . 13.3 Cg_endo -56.31 -15.12 13.91 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.71 2.273 . . . . 0.0 113.051 -179.613 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.424 ' HB2' ' CD2' ' A' ' 42' ' ' HIS . 1.9 t70 -82.44 -20.35 37.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.689 0.28 . . . . 0.0 111.112 179.888 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.6 mmtt -108.19 30.92 5.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.926 0.393 . . . . 0.0 110.938 -179.876 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.44 50.95 34.51 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.649 -179.991 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -122.32 172.09 15.56 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.387 179.834 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.33 150.83 22.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.814 0.34 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.433 ' CE1' ' HG3' ' A' ' 43' ' ' PRO . 5.3 m-70 -79.17 -31.41 43.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.87 -35.53 64.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.52 -179.725 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.2 mp -62.82 -51.71 65.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.279 -179.61 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 9.2 tpt -54.08 -46.72 72.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.352 -179.714 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -71.98 -24.84 61.65 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.079 -179.961 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -47.87 70.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.991 0.424 . . . . 0.0 110.65 179.634 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.459 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 12.7 tp -64.1 -37.8 88.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.923 -179.943 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.43 -36.87 85.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.765 179.901 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.37 -30.98 68.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 179.806 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.622 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 18.4 mt -83.77 -30.77 26.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.7 179.731 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.576 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 62.5 t-105 -88.62 -13.09 40.75 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.924 179.415 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.401 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -78.46 -63.23 2.16 Favored Glycine 0 C--N 1.336 0.576 0 C-N-CA 121.175 -0.536 . . . . 0.0 112.198 179.39 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.579 ' CG2' HD23 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -55.63 -49.7 72.16 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 179.268 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.553 ' N ' ' CG2' ' A' ' 61' ' ' THR . 5.5 t80 -44.2 -48.85 9.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 113.484 -1.689 . . . . 0.0 109.482 178.067 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.576 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 2.6 ttmt -57.81 -34.94 70.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.037 -1.438 . . . . 0.0 110.996 179.754 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.2 m -47.99 -37.64 15.15 Favored 'General case' 0 CA--C 1.52 -0.2 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.08 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -84.79 -32.36 23.41 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.536 178.646 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.556 ' HB ' ' HA ' ' A' ' 63' ' ' LYS . 90.6 t . . . . . 0 N--CA 1.453 -0.311 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.813 179.841 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.726 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.241 0.543 . . . . 0.0 111.996 . . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.4 p -90.4 -170.08 2.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.511 -179.105 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.407 ' HA ' ' CG ' ' A' ' 10' ' ' LYS . 34.1 mtp180 -61.76 -35.87 79.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.778 179.776 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.6 -42.79 81.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.319 -179.684 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.726 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 13.8 m-20 -72.39 -54.36 9.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.83 -179.926 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.407 ' CG ' ' HA ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -55.1 -33.03 62.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.831 0.348 . . . . 0.0 110.298 179.642 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -66.19 -37.31 85.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.089 179.153 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 -63.64 -37.5 87.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.856 179.436 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.515 ' HB2' ' HB3' ' A' ' 58' ' ' LEU . 4.3 tp -63.4 -34.03 76.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.87 178.938 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.55 ' CD2' HD21 ' A' ' 19' ' ' LEU . 11.2 mt -68.66 -38.81 80.71 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.139 -179.921 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -58.33 -44.79 88.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.405 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 1.0 OUTLIER -77.1 -13.08 60.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.144 179.836 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.424 ' N ' HD21 ' A' ' 17' ' ' LEU . 0.9 OUTLIER -90.57 -12.79 36.01 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.724 -179.781 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.5 18.73 2.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.219 0.533 . . . . 0.0 110.4 -178.69 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.597 ' HG ' HD11 ' A' ' 23' ' ' LEU . 1.6 tt -106.82 114.64 61.48 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.277 -179.604 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.45 ' HB2' ' CD2' ' A' ' 23' ' ' LEU . 44.3 Cg_exo -52.18 -179.48 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.518 2.146 . . . . 0.0 112.637 -179.392 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.6 mtt180 -84.98 -25.01 28.02 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.819 -179.508 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -64.21 -8.16 11.57 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.196 -0.456 . . . . 0.0 112.022 -179.755 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.597 HD11 ' HG ' ' A' ' 19' ' ' LEU . 0.5 OUTLIER -132.98 17.19 4.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.865 0.364 . . . . 0.0 110.896 -179.785 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 39.7 t-105 -53.14 -23.01 7.17 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.045 179.837 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.2 -22.96 23.58 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.182 179.495 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -58.72 93.84 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.882 0.373 . . . . 0.0 110.729 179.844 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.435 ' HA ' ' HG2' ' A' ' 30' ' ' MET . 15.0 t80 -58.51 -36.73 74.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.403 -179.656 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.432 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -69.02 -35.47 78.72 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.851 -0.69 . . . . 0.0 113.485 -179.133 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.428 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -83.89 -28.65 27.79 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -178.939 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.435 ' HG2' ' HA ' ' A' ' 27' ' ' PHE . 9.9 ptp -73.12 -44.88 59.64 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.889 -179.915 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.416 ' N ' ' HG3' ' A' ' 30' ' ' MET . 7.2 tt0 -68.41 -36.57 79.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.897 0.379 . . . . 0.0 110.29 179.512 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.432 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -61.39 -38.14 85.96 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.22 179.306 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.05 -41.92 40.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.934 179.82 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.47 ' CE2' ' CG ' ' A' ' 59' ' ' TRP . 8.2 t80 -49.82 -46.16 50.85 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.848 0.356 . . . . 0.0 110.7 179.858 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -76.42 -35.87 58.33 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.975 179.97 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.412 ' HB2' ' O ' ' A' ' 32' ' ' GLN . 0.3 OUTLIER -66.14 -34.57 78.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.738 179.825 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.421 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 28.4 mm100 -87.62 -20.1 26.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.162 179.938 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 86.2 p -76.06 -32.51 59.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.669 179.577 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.0 mt -65.45 -35.35 80.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.996 -179.837 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 2.7 pp -86.12 -15.39 41.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.731 0.3 . . . . 0.0 111.039 179.772 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mt -95.14 7.28 46.61 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.906 0.384 . . . . 0.0 110.783 179.311 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.485 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 7.3 t-80 -70.51 141.74 88.34 Favored Pre-proline 0 N--CA 1.454 -0.239 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.524 179.95 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.485 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 28.6 Cg_endo -64.22 -19.16 65.56 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.807 2.338 . . . . 0.0 113.497 -178.961 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.41 ' HB2' ' HD1' ' A' ' 42' ' ' HIS . 0.6 OUTLIER -88.04 -20.25 26.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.672 0.272 . . . . 0.0 111.222 -179.986 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.6 mmtt -99.14 30.33 3.5 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.897 0.379 . . . . 0.0 110.769 179.732 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.37 75.4 0.35 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.622 179.992 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -155.62 174.45 33.65 Favored Glycine 0 C--N 1.329 0.181 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.477 179.893 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.24 118.69 29.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.815 0.341 . . . . 0.0 110.744 179.962 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 46.9 p-80 -59.38 -41.8 90.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.197 -179.79 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.6 -35.7 63.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.742 0.306 . . . . 0.0 111.478 -179.752 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.4 mp -63.36 -54.22 40.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.019 -179.942 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.12 -43.34 66.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 -179.782 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -70.0 -34.8 73.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.764 179.877 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -64.05 -36.85 85.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.596 179.793 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.454 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 12.3 tp -67.69 -35.59 79.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.798 179.89 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -63.03 -31.79 73.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.1 t -70.45 -47.92 58.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.186 -179.932 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.515 ' HB3' ' HB2' ' A' ' 13' ' ' LEU . 2.4 mt -70.26 -29.86 66.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.103 -179.798 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.58 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 68.0 t-105 -88.04 -18.28 29.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.319 179.784 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.14 -65.15 2.25 Favored Glycine 0 C--N 1.334 0.446 0 C-N-CA 120.942 -0.646 . . . . 0.0 112.16 179.44 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.531 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -53.33 -49.86 66.19 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 107.376 -1.342 . . . . 0.0 107.376 179.208 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.531 ' N ' ' CG2' ' A' ' 61' ' ' THR . 3.7 t80 -44.73 -49.28 10.62 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 113.481 -1.69 . . . . 0.0 109.668 177.787 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.58 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 1.7 ttmt -57.45 -38.19 74.06 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.327 -1.306 . . . . 0.0 111.456 -179.971 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.1 m -47.02 -37.45 9.31 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.353 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -85.44 -32.83 22.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.723 178.187 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.54 ' HB ' ' HA ' ' A' ' 63' ' ' LYS . 81.7 t . . . . . 0 N--CA 1.457 -0.104 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.872 179.84 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.625 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.878 0.371 . . . . 0.0 111.553 . . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.6 p -89.78 -177.9 5.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.773 179.796 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.01 -35.25 64.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.277 -179.843 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.78 -34.37 64.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.447 -179.811 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.625 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 24.4 m-20 -78.2 -50.57 11.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.017 -179.893 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -60.0 -35.26 74.65 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.005 0.431 . . . . 0.0 110.04 179.442 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.459 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 2.2 mm-40 -69.61 -33.12 72.22 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 178.857 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.6 -33.58 75.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.798 178.963 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 tp -61.2 -38.76 87.72 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.808 179.036 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.431 ' CD2' HD12 ' A' ' 19' ' ' LEU . 36.8 mt -66.77 -35.57 80.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.103 179.753 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -54.32 -61.88 2.02 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.736 179.939 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.7 mp -68.27 -12.41 60.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 179.546 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.505 HD12 ' HB2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -90.08 -10.25 45.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.967 -179.8 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.31 19.11 2.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.359 0.599 . . . . 0.0 110.11 -178.875 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.696 ' HG ' ' HA ' ' A' ' 30' ' ' MET . 2.6 tm? -111.97 98.9 43.87 Favored Pre-proline 0 N--CA 1.446 -0.637 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.48 -179.341 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.544 ' O ' HD13 ' A' ' 23' ' ' LEU . 88.5 Cg_exo -39.92 165.02 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.488 2.792 . . . . 0.0 114.134 -178.306 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.423 ' HA ' HD11 ' A' ' 14' ' ' LEU . 4.6 ptt-85 -90.21 -5.37 56.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.023 179.164 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -34.85 60.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.977 0.417 . . . . 0.0 110.958 -179.3 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -98.31 4.12 48.69 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.22 179.867 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 59.7 t-105 -44.68 98.29 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.357 179.607 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.96 -26.1 0.63 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.607 -179.998 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.419 ' O ' ' HG2' ' A' ' 30' ' ' MET . 12.8 t0 -81.91 82.5 7.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.731 0.301 . . . . 0.0 111.018 -179.834 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.473 ' CD1' HG11 ' A' ' 66' ' ' VAL . 28.7 t80 -42.06 -31.34 0.35 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.917 -179.77 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.438 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -67.95 -37.96 88.4 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.931 -179.674 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.0 mtm180 -81.09 -49.12 11.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.663 0.268 . . . . 0.0 111.567 -179.427 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.696 ' HA ' ' HG ' ' A' ' 19' ' ' LEU . 8.4 ptp -58.53 -47.18 85.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.467 -179.467 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -63.82 -40.31 96.31 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.52 179.844 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.438 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.7 OUTLIER -58.15 -39.96 80.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.078 0.466 . . . . 0.0 110.223 179.348 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.37 -39.6 71.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.289 179.188 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.505 ' HB2' HD12 ' A' ' 17' ' ' LEU . 14.0 t80 -54.11 -46.55 72.15 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.562 179.441 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.5 mttm -64.27 -43.61 94.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.086 179.937 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -58.78 -35.89 73.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.875 0.369 . . . . 0.0 110.771 179.905 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.467 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 26.5 mm-40 -90.26 -19.89 23.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.231 -179.891 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.3 p -72.45 -31.42 65.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.78 0.324 . . . . 0.0 110.605 179.739 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 mt -68.44 -33.7 74.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.455 -179.654 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.7 pp -86.22 -15.67 40.1 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.651 0.262 . . . . 0.0 110.845 179.643 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 35.1 mt -90.72 4.86 50.35 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 120.786 0.326 . . . . 0.0 110.798 179.377 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.514 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 2.6 t-80 -90.15 137.72 27.74 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.435 179.921 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.514 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 18.5 Cg_endo -60.03 -13.94 25.8 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.6 2.2 . . . . 0.0 112.766 -179.86 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.77 -18.5 34.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.672 0.272 . . . . 0.0 110.907 179.562 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -117.54 30.21 7.41 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.026 -179.944 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 75.51 42.14 28.04 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.705 179.83 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' A' ' 43' ' ' PRO . . . -122.13 167.24 14.7 Favored Glycine 0 C--N 1.329 0.155 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 179.871 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.19 154.71 19.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.705 0.288 . . . . 0.0 110.637 179.938 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.455 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 10.4 t-160 -83.23 -29.69 28.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.025 -179.941 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.94 -34.54 44.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.401 -179.786 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.6 mp -63.74 -51.35 65.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.783 -179.878 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 10.8 tpt -57.22 -30.98 65.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.98 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 12.6 mm-40 -80.45 -39.29 28.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.775 179.931 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -59.99 -49.53 77.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.853 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.4 tp -66.33 -32.84 74.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.706 179.826 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.1 -35.37 76.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.605 179.852 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.78 -40.99 79.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.478 179.613 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.485 ' O ' HD22 ' A' ' 5' ' ' LEU . 6.0 mt -70.83 -28.89 64.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.564 179.76 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.565 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 70.1 t-105 -90.49 -20.01 23.19 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 179.255 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.03 -63.95 2.42 Favored Glycine 0 C--N 1.336 0.57 0 C-N-CA 121.062 -0.59 . . . . 0.0 112.294 179.388 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.532 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -53.3 -49.48 66.93 Favored 'General case' 0 CA--C 1.51 -0.58 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 179.143 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.532 ' N ' ' CG2' ' A' ' 61' ' ' THR . 2.0 t80 -45.27 -50.67 11.66 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 113.428 -1.715 . . . . 0.0 109.322 177.644 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.575 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 0.9 OUTLIER -59.4 -35.71 74.46 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.31 -1.314 . . . . 0.0 110.81 179.546 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.412 ' HB ' ' O ' ' A' ' 61' ' ' THR . 26.2 m -51.95 -36.58 49.85 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.102 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -83.67 -28.85 28.08 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.12 -0.946 . . . . 0.0 109.047 177.774 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.575 ' HB ' ' HA ' ' A' ' 63' ' ' LYS . 74.1 t . . . . . 0 N--CA 1.452 -0.328 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.101 179.6 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.715 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 1.9 pt? . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.987 0.422 . . . . 0.0 110.725 . . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.6 p -77.11 178.51 6.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.417 -179.031 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.6 ttt-85 -56.19 -32.91 64.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.709 179.798 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.61 -37.19 76.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.99 179.915 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.715 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -64.72 -60.26 3.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.895 -179.998 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.582 ' N ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -57.51 -37.8 73.6 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.266 0.555 . . . . 0.0 109.767 179.638 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -68.96 -26.7 65.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.753 178.47 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.2 -30.46 25.76 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.174 179.356 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.456 HD23 ' CD2' ' A' ' 62' ' ' PHE . 1.5 tp -67.42 -32.6 73.59 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.021 179.302 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.436 HD12 ' CE3' ' A' ' 24' ' ' TRP . 16.1 mt -69.58 -40.97 76.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.792 179.73 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -54.31 -47.27 72.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.717 179.924 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.468 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 0.4 OUTLIER -78.39 -15.65 58.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.997 179.697 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.412 ' N ' HD21 ' A' ' 17' ' ' LEU . 1.3 mm? -90.49 -6.57 54.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.727 -179.999 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 mttp 53.37 20.14 1.86 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.34 0.591 . . . . 0.0 110.108 -178.846 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.559 ' CD1' HD23 ' A' ' 23' ' ' LEU . 3.6 tt -112.12 110.03 54.11 Favored Pre-proline 0 N--CA 1.449 -0.507 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.16 -179.062 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.507 ' O ' HD13 ' A' ' 23' ' ' LEU . 76.0 Cg_exo -49.57 170.06 0.1 Allowed 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.638 2.226 . . . . 0.0 113.095 -179.03 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.71 -8.93 51.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.08 179.489 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.32 -36.34 74.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.157 0.503 . . . . 0.0 110.752 -179.397 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.559 HD23 ' CD1' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -100.76 11.82 38.76 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.153 179.839 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.439 ' CH2' ' HB2' ' A' ' 10' ' ' LYS . 66.5 t-105 -51.73 92.54 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.243 179.364 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 161.15 -27.14 0.28 Allowed Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.812 179.868 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -76.6 87.74 3.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.815 0.34 . . . . 0.0 111.133 -179.747 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.484 ' CD1' ' CG1' ' A' ' 66' ' ' VAL . 28.0 t80 -44.46 -46.98 9.92 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.699 -179.967 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.31 -34.45 67.83 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.953 -179.595 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.43 -55.41 5.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.664 0.269 . . . . 0.0 111.043 -179.727 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.405 ' HA ' HD12 ' A' ' 19' ' ' LEU . 10.1 ptp -56.21 -46.64 79.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.223 -179.789 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -59.92 -34.48 73.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.898 0.38 . . . . 0.0 110.693 179.838 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -60.52 -41.91 95.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.559 179.638 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.53 -41.68 54.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.848 179.677 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.487 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 10.0 t80 -49.3 -48.67 46.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.551 179.644 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.7 mmtt -69.22 -33.03 72.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.676 179.681 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -66.56 -51.68 53.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.95 -179.984 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 13.2 mp0 -74.88 -20.1 59.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.809 0.338 . . . . 0.0 111.326 -179.72 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.4 -28.05 68.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.525 179.415 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.6 mt -77.98 -30.47 50.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.272 -179.845 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.435 HD22 ' HA ' ' A' ' 37' ' ' GLN . 1.5 pp -89.67 -17.07 29.08 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.675 0.274 . . . . 0.0 110.961 179.524 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 73.0 mt -94.92 14.81 20.43 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.875 0.369 . . . . 0.0 110.267 178.681 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.546 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 9.1 t-80 -86.76 137.61 33.66 Favored Pre-proline 0 C--N 1.332 -0.173 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.573 -179.863 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.546 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 29.0 Cg_endo -62.67 -9.66 16.87 Favored 'Trans proline' 0 CA--C 1.531 0.331 0 C-N-CA 122.835 2.357 . . . . 0.0 113.257 -179.466 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -90.16 -27.1 19.81 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.691 0.282 . . . . 0.0 111.187 179.913 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt -95.46 31.08 2.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.088 -179.974 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.84 33.4 83.98 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.438 -179.845 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -103.0 -179.47 26.39 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.529 179.936 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.2 148.13 23.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.332 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -83.21 -45.27 14.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.899 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.91 -18.72 65.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.703 -179.909 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.4 mt -76.22 -49.13 17.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.762 0.315 . . . . 0.0 111.088 -179.799 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.67 -49.77 56.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.098 -179.909 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.427 ' HA ' ' OD1' ' A' ' 56' ' ' ASN . 0.9 OUTLIER -64.77 -19.63 65.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.993 179.76 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -76.17 -29.95 57.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 110.707 179.906 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.487 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 7.3 tp -80.14 -54.38 5.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.332 -179.647 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.427 ' OD1' ' HA ' ' A' ' 53' ' ' GLN . 9.1 p30 -58.36 -45.22 88.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.679 0.276 . . . . 0.0 111.266 -179.46 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.7 t -61.94 -29.48 70.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.813 0.34 . . . . 0.0 110.741 179.826 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.6 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 7.4 mt -88.28 -26.88 22.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.761 179.602 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.524 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 57.7 t-105 -87.84 -15.49 36.64 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.809 179.507 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.449 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -79.21 -61.1 2.41 Favored Glycine 0 C--N 1.336 0.552 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.572 179.041 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.562 ' CG2' HD21 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -54.85 -50.35 68.88 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 178.425 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.561 ' N ' ' CG2' ' A' ' 61' ' ' THR . 4.5 t80 -44.24 -52.67 7.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 113.519 -1.673 . . . . 0.0 109.363 177.842 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.56 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 1.1 ttmt -53.3 -39.5 64.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.304 -1.317 . . . . 0.0 111.245 179.489 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 41.4 m -47.87 -37.56 14.27 Favored 'General case' 0 CA--C 1.521 -0.138 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 178.995 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -85.71 -31.17 22.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.73 178.375 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.56 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 99.0 t . . . . . 0 N--CA 1.456 -0.161 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.154 179.966 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.796 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER . . . . . 0 CA--C 1.522 -0.097 0 CA-C-O 121.385 0.612 . . . . 0.0 112.229 . . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.1 p -90.12 -175.71 4.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.565 -179.934 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -38.63 70.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.007 179.856 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.96 -32.36 73.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.733 -179.475 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.796 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 27.1 m-20 -85.65 -50.45 7.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.144 -179.725 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.532 ' HE2' ' CZ2' ' A' ' 24' ' ' TRP . 0.6 OUTLIER -57.89 -34.66 70.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.91 0.386 . . . . 0.0 110.164 179.659 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -69.57 -31.47 69.67 Favored 'General case' 0 C--O 1.233 0.184 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.702 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.409 ' HB3' ' O ' ' A' ' 9' ' ' ASP . 20.2 ttt180 -61.82 -34.88 76.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.282 178.627 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.417 HD21 ' CD2' ' A' ' 62' ' ' PHE . 3.3 tp -68.21 -31.38 70.85 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.562 178.583 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.451 ' CD2' HD21 ' A' ' 19' ' ' LEU . 12.4 mt -73.71 -41.62 62.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.86 179.668 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -53.05 -45.28 67.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.689 -179.942 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.448 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -77.71 -17.45 57.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.868 179.707 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.449 ' N ' HD21 ' A' ' 17' ' ' LEU . 1.5 mm? -89.0 -8.97 53.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.976 -179.548 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 53.96 20.05 2.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.302 0.572 . . . . 0.0 110.168 -178.847 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.504 ' CD2' HD21 ' A' ' 23' ' ' LEU . 4.1 tt -108.92 109.07 61.06 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.797 -179.199 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.511 ' O ' HD11 ' A' ' 23' ' ' LEU . 78.1 Cg_exo -48.88 165.08 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.795 2.33 . . . . 0.0 113.438 -178.629 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.441 ' HG3' HD12 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -83.9 -3.11 57.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.911 179.342 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -77.67 -33.68 53.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.032 0.444 . . . . 0.0 111.014 -179.022 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.528 ' O ' ' CD2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -109.67 20.06 18.51 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.874 179.805 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.532 ' CZ2' ' HE2' ' A' ' 10' ' ' LYS . 58.2 t-105 -53.12 -19.21 2.69 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.672 179.522 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.31 -14.06 79.45 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.798 -0.715 . . . . 0.0 113.262 -179.794 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -81.56 119.76 24.19 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.831 0.316 . . . . 0.0 111.214 -179.705 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.45 ' CE1' HG12 ' A' ' 66' ' ' VAL . 23.9 t80 -79.28 -41.68 27.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.206 -179.924 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.78 -29.13 74.45 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.892 -179.598 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.18 -43.78 23.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.618 0.246 . . . . 0.0 111.41 -179.552 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 18.1 ptp -62.54 -45.78 91.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.264 -179.636 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -66.0 -33.65 76.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.7 0.286 . . . . 0.0 110.779 -179.991 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -42.68 99.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.496 179.641 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.65 -38.01 62.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.895 179.835 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.48 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 9.0 t80 -54.31 -45.41 72.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.638 179.805 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.37 -28.63 62.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.966 -179.872 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -66.76 -45.96 76.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.941 -179.922 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 32.2 mm-40 -78.4 -19.16 53.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.221 179.996 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.7 m -65.7 -28.41 69.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.667 179.505 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.62 -32.14 60.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 -179.866 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.6 pp -89.95 -19.04 24.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.193 179.958 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.4 mt -94.46 15.09 18.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.615 179.327 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.419 ' ND1' ' HD2' ' A' ' 43' ' ' PRO . 77.7 t60 -89.06 135.11 32.03 Favored Pre-proline 0 N--CA 1.455 -0.217 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.726 -179.86 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.419 ' HD2' ' ND1' ' A' ' 42' ' ' HIS . 82.7 Cg_exo -44.85 -27.25 2.35 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.878 2.385 . . . . 0.0 113.072 -179.879 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -83.18 -22.43 33.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.693 0.282 . . . . 0.0 111.585 -179.474 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.61 31.13 5.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.92 -179.737 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.76 35.43 80.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.424 -179.972 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -98.67 152.3 19.7 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.544 -179.994 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.6 m -89.31 158.04 17.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.757 0.313 . . . . 0.0 110.689 179.944 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.446 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 1.9 t60 -75.67 -63.91 1.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.721 -179.975 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.461 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -50.15 -35.15 24.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.276 179.965 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.86 -50.24 65.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.221 -179.761 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 10.3 tpt -65.11 -39.08 92.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.302 -179.593 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 8.7 mm100 -73.26 -33.71 65.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.779 0.323 . . . . 0.0 110.971 -179.901 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 0.5 OUTLIER -62.7 -40.56 97.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.372 . . . . 0.0 110.776 179.953 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.48 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 11.2 tp -65.34 -43.65 90.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.822 -179.865 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.84 -35.28 79.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.653 179.831 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.64 -38.75 70.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.718 179.881 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.441 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -78.06 -27.34 48.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.618 179.852 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.586 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 59.8 t-105 -88.91 -23.62 22.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.083 179.827 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.4 -63.66 3.16 Favored Glycine 0 C--N 1.334 0.425 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.936 179.193 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.547 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -52.55 -49.88 64.01 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 179.166 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.547 ' N ' ' CG2' ' A' ' 61' ' ' THR . 4.3 t80 -46.34 -54.97 7.99 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 113.265 -1.789 . . . . 0.0 109.4 177.65 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.594 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 0.1 OUTLIER -51.11 -41.24 59.9 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.279 -1.328 . . . . 0.0 111.113 179.854 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.1 m -49.21 -37.09 21.73 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.79 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -85.65 -30.55 23.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.608 178.083 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.594 ' HB ' ' HA ' ' A' ' 63' ' ' LYS . 72.9 t . . . . . 0 C--N 1.333 -0.147 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.285 -179.993 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.59 ' HG ' ' CG2' ' A' ' 61' ' ' THR . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.107 0.479 . . . . 0.0 111.822 . . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.1 p -90.06 -173.01 3.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.7 ttp-105 -57.83 -32.87 68.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.282 -179.925 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.87 -38.04 58.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.62 -179.502 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.56 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 2.8 m-20 -76.27 -51.79 11.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.291 -179.609 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.428 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -58.39 -32.29 68.48 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.804 0.335 . . . . 0.0 110.29 179.826 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.407 ' HG2' ' HD2' ' A' ' 10' ' ' LYS . 1.6 mm-40 -66.62 -36.21 82.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.139 0.495 . . . . 0.0 109.699 178.809 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -66.15 -37.21 85.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.899 179.24 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.429 ' HB2' ' HB3' ' A' ' 58' ' ' LEU . 2.0 tp -60.82 -31.07 70.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.997 179.009 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.405 ' CD1' ' HA ' ' A' ' 21' ' ' ARG . 12.4 mt -70.47 -37.51 74.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.797 179.665 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -55.31 -49.13 72.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.583 179.779 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.404 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 1.1 mp -72.54 -14.44 61.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.008 179.537 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.452 HD23 ' N ' ' A' ' 17' ' ' LEU . 2.5 mm? -90.14 -10.73 43.47 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.996 -179.771 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.14 19.05 2.64 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.331 0.586 . . . . 0.0 110.011 -178.876 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.516 ' CD1' HD23 ' A' ' 23' ' ' LEU . 3.5 tt -113.08 111.5 50.51 Favored Pre-proline 0 N--CA 1.45 -0.468 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.69 -179.129 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.549 ' O ' HD11 ' A' ' 23' ' ' LEU . 86.1 Cg_exo -44.49 167.28 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.755 2.303 . . . . 0.0 113.553 -178.745 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.405 ' HA ' ' CD1' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -90.12 -12.16 39.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.203 179.745 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.84 -35.17 74.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.006 -179.354 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.549 HD11 ' O ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -97.63 5.71 49.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.36 179.856 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.428 ' CH2' ' HB2' ' A' ' 10' ' ' LYS . 44.3 t-105 -47.49 93.53 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.356 179.546 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 162.35 -30.01 0.28 Allowed Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.812 179.889 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -72.57 90.64 1.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.787 0.327 . . . . 0.0 111.047 -179.768 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.431 ' CE1' HG11 ' A' ' 66' ' ' VAL . 16.2 t80 -46.11 -40.34 10.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.754 -179.886 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.51 -38.11 95.26 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.817 -0.706 . . . . 0.0 113.168 -179.467 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.4 mmt85 -79.37 -49.42 12.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.724 0.262 . . . . 0.0 111.676 -179.311 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.417 ' CG ' ' HA ' ' A' ' 27' ' ' PHE . 15.1 ptp -58.1 -44.33 87.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.681 0.277 . . . . 0.0 111.224 -179.564 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -66.66 -34.82 78.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.724 0.297 . . . . 0.0 110.625 179.858 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.44 -44.4 97.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.208 179.529 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.2 -40.67 71.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.698 179.593 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.435 ' CE2' ' CG ' ' A' ' 59' ' ' TRP . 10.9 t80 -53.06 -55.5 23.34 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.536 179.668 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -63.75 -30.92 71.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.894 179.904 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.35 -34.47 63.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 -179.79 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 13.4 mm100 -90.07 -21.12 22.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.385 -179.637 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 93.1 p -69.85 -28.8 65.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.837 0.351 . . . . 0.0 110.813 179.697 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.96 -38.44 76.09 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.175 -179.782 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.5 pp -84.15 -10.51 57.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.656 0.265 . . . . 0.0 111.055 179.616 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.409 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 9.7 mt -94.31 -8.29 39.41 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.833 0.349 . . . . 0.0 111.307 179.741 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.49 ' ND1' ' HD2' ' A' ' 43' ' ' PRO . 24.8 t60 -66.78 141.57 96.93 Favored Pre-proline 0 CA--C 1.532 0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.249 179.424 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.49 ' HD2' ' ND1' ' A' ' 42' ' ' HIS . 32.9 Cg_endo -65.45 -12.25 34.12 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.65 2.234 . . . . 0.0 113.614 -178.789 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.04 -20.77 23.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.691 0.281 . . . . 0.0 111.179 -179.987 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.461 ' HD3' ' HB3' ' A' ' 42' ' ' HIS . 4.2 mptt -100.93 24.32 9.45 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.726 0.298 . . . . 0.0 110.974 179.881 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 88.5 -17.54 48.12 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.671 -0.776 . . . . 0.0 113.046 179.765 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.72 161.1 36.42 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.532 -179.727 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.35 154.41 19.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.739 0.304 . . . . 0.0 110.913 179.872 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -77.52 -46.94 20.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.796 179.848 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.06 -27.78 34.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.273 179.985 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.409 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 3.0 mp -78.85 -52.02 8.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.821 179.91 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 8.8 tpt -58.28 -28.15 64.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.009 179.83 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -71.72 -35.85 70.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.74 179.849 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -64.31 -53.75 43.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.421 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 11.4 tp -52.99 -51.1 62.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.213 -179.956 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -60.15 -33.56 72.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.91 -41.61 42.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.731 179.929 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.473 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 3.3 mt -75.82 -26.64 57.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.822 179.942 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.538 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 65.0 t-105 -89.9 -24.66 21.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.129 179.874 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.444 ' HA2' ' NZ ' ' A' ' 63' ' ' LYS . . . -69.16 -64.43 3.0 Favored Glycine 0 C--N 1.335 0.474 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.274 179.522 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.59 ' CG2' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -52.86 -49.59 65.5 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 179.138 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.539 ' N ' ' CG2' ' A' ' 61' ' ' THR . 3.6 t80 -45.33 -51.28 11.3 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 113.46 -1.7 . . . . 0.0 109.401 177.647 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.551 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 0.2 OUTLIER -55.71 -36.92 67.72 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.184 -1.371 . . . . 0.0 111.16 179.704 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 40.1 m -47.76 -38.03 14.64 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 109.165 -0.679 . . . . 0.0 109.165 179.214 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -85.61 -30.74 23.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.926 178.252 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.551 ' HB ' ' HA ' ' A' ' 63' ' ' LYS . 82.2 t . . . . . 0 N--CA 1.456 -0.136 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.221 -179.927 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.786 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.3 OUTLIER . . . . . 0 N--CA 1.461 0.098 0 CA-C-O 121.376 0.608 . . . . 0.0 112.149 . . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.4 p -90.43 -177.16 5.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.025 -179.166 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 31.4 ttm105 -57.86 -32.75 67.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.508 179.605 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.66 -33.28 70.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.76 -179.672 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.786 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 19.1 m-20 -85.46 -48.67 8.76 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 121.168 -0.213 . . . . 0.0 111.255 -179.517 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -60.87 -34.0 73.95 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.49 179.835 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.2 OUTLIER -68.99 -29.37 67.57 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.074 0.464 . . . . 0.0 109.844 178.939 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -67.98 -33.02 73.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.872 178.96 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.576 ' HB2' ' HB3' ' A' ' 58' ' ' LEU . 2.8 tp -66.68 -35.38 80.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.088 179.2 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.413 ' CD2' HD21 ' A' ' 19' ' ' LEU . 14.6 mt -69.58 -37.02 76.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.692 179.774 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.88 -44.11 81.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.519 179.738 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.441 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 10.0 mp -80.46 -16.27 54.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.906 179.481 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.424 ' CD1' ' N ' ' A' ' 34' ' ' TYR . 2.6 mm? -89.98 -8.64 51.19 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.284 -0.416 . . . . 0.0 112.063 -179.823 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.47 19.89 2.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.301 0.572 . . . . 0.0 109.963 -178.64 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.486 ' CD1' HD22 ' A' ' 23' ' ' LEU . 3.6 tt -111.96 108.96 55.2 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.111 -0.95 . . . . 0.0 109.734 -179.416 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.495 ' O ' HD11 ' A' ' 23' ' ' LEU . 73.9 Cg_exo -49.32 169.92 0.1 OUTLIER 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.608 2.206 . . . . 0.0 113.245 -178.794 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.05 -6.56 55.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.009 179.333 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.95 -35.62 66.99 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.125 0.488 . . . . 0.0 110.695 -179.658 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.495 HD11 ' O ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -101.75 10.53 39.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.057 179.7 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 48.8 t-105 -53.18 114.19 1.38 Allowed 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.388 179.743 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 140.58 -24.78 2.62 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.652 -0.785 . . . . 0.0 113.069 179.611 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -76.21 92.28 3.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.828 0.347 . . . . 0.0 111.316 -179.749 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.425 ' CD1' HG13 ' A' ' 66' ' ' VAL . 22.3 t80 -49.18 -32.44 10.31 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.7 179.982 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.94 -38.13 60.27 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.662 -0.78 . . . . 0.0 113.032 -179.578 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.25 -41.14 20.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.715 0.257 . . . . 0.0 111.629 -179.36 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.416 ' HG2' ' HA ' ' A' ' 27' ' ' PHE . 8.9 ptp -63.46 -46.76 84.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.678 0.275 . . . . 0.0 110.982 -179.753 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.425 ' HG3' ' CZ2' ' A' ' 59' ' ' TRP . 38.1 tt0 -65.9 -36.32 83.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.813 0.34 . . . . 0.0 110.586 179.749 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -59.22 -34.93 72.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.072 0.463 . . . . 0.0 110.282 179.451 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.54 -38.71 54.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.505 179.477 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.459 ' HE2' ' HB3' ' A' ' 59' ' ' TRP . 10.8 t80 -56.74 -44.67 81.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.756 179.944 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.418 ' HE3' ' HG2' ' A' ' 31' ' ' GLN . 5.5 mtmt -73.64 -29.74 62.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.771 179.715 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -71.97 -35.11 69.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 32.3 mm-40 -89.26 -19.56 25.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.203 -179.892 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -76.09 -30.97 58.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.598 179.586 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.401 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 0.2 OUTLIER -69.01 -30.92 69.41 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.473 -179.613 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.2 pp -89.85 -17.59 27.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.707 0.289 . . . . 0.0 111.149 -179.954 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 20.6 mt -95.17 -2.62 49.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.161 179.553 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.43 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 12.1 t60 -75.26 141.86 74.48 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 120.711 0.291 . . . . 0.0 110.949 -179.972 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.43 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 70.9 Cg_exo -47.21 -26.9 5.93 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 122.814 2.343 . . . . 0.0 112.668 179.951 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -79.0 -21.29 47.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.396 -179.803 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 39' ' ' LEU . 1.4 mppt? -113.23 30.66 7.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.898 -179.639 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.89 74.87 0.3 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.663 179.996 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -137.78 158.61 24.69 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.464 -179.992 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.06 148.89 22.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.859 0.361 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -69.39 -49.27 56.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.767 179.868 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.13 -24.82 56.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.305 -179.991 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 mp -76.14 -50.11 15.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.957 -179.895 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -27.23 67.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.024 -179.953 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -73.25 -36.16 66.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.932 0.396 . . . . 0.0 110.712 179.779 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -55.51 23.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.057 -179.904 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.449 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 9.5 tp -55.57 -40.82 72.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.221 -179.702 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -63.1 -30.76 71.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.76 -41.96 25.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.274 -179.82 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.576 ' HB3' ' HB2' ' A' ' 13' ' ' LEU . 74.8 mt -75.31 -31.33 60.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.905 -179.744 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.615 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 62.1 t-105 -88.94 -21.64 23.47 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.45 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.28 -60.74 3.96 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.054 179.573 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.535 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -56.79 -49.97 73.75 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 179.25 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.535 ' N ' ' CG2' ' A' ' 61' ' ' THR . 3.6 t80 -43.82 -50.1 7.96 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 113.434 -1.712 . . . . 0.0 109.486 177.758 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.615 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 0.7 OUTLIER -58.16 -39.12 78.02 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.158 -1.383 . . . . 0.0 111.284 179.571 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 76.7 m -47.39 -37.52 11.46 Favored 'General case' 0 CA--C 1.522 -0.117 0 CA-C-O 121.338 0.589 . . . . 0.0 109.411 179.338 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -85.35 -32.12 22.61 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.636 178.287 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.545 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 78.9 t . . . . . 0 C--O 1.231 0.115 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.011 179.951 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.749 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.253 0.549 . . . . 0.0 111.9 . . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.9 p -90.17 -171.05 2.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.744 -179.471 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.405 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 20.8 mtm-85 -57.88 -43.77 86.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.829 179.769 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.11 -49.7 76.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.548 -179.587 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.749 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 9.9 m-20 -63.82 -51.44 64.69 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.198 -0.201 . . . . 0.0 110.804 -179.906 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.428 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -60.44 -33.95 73.27 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 179.214 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 7' ' ' ARG . 9.5 mt-10 -69.01 -31.97 71.17 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.441 -0.578 . . . . 0.0 109.441 178.387 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 44.9 ttt85 -67.98 -37.28 81.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.121 179.312 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 tp -64.4 -30.27 71.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.209 179.224 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.438 ' HG ' ' CZ3' ' A' ' 24' ' ' TRP . 11.1 mt -70.16 -39.25 75.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.96 179.725 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -56.32 -50.6 70.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 179.905 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.435 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -72.21 -12.94 61.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.159 179.82 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.485 HD12 ' N ' ' A' ' 34' ' ' TYR . 1.4 mm? -90.33 -10.05 45.52 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -179.524 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mptt 54.39 19.8 2.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.385 0.612 . . . . 0.0 109.99 -178.539 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.512 ' CD1' HD21 ' A' ' 23' ' ' LEU . 2.7 tt -112.07 111.41 53.32 Favored Pre-proline 0 N--CA 1.448 -0.569 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.712 -179.109 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.536 ' O ' HD11 ' A' ' 23' ' ' LEU . 87.1 Cg_exo -42.54 165.9 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.814 2.343 . . . . 0.0 113.376 -178.76 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.2 -8.95 49.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.201 179.822 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.46 -33.87 65.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.371 -179.074 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.536 HD11 ' O ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -97.36 9.75 41.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.541 -179.876 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.438 ' CZ3' ' HG ' ' A' ' 14' ' ' LEU . 52.9 t-105 -52.72 109.49 0.41 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.224 179.567 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 141.8 -26.16 2.38 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.722 179.797 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -78.51 91.64 4.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.771 0.32 . . . . 0.0 111.1 -179.673 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.505 ' CE1' HG11 ' A' ' 66' ' ' VAL . 21.5 t80 -46.83 -29.64 2.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.574 -179.889 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -71.46 -37.56 62.43 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.719 -179.803 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 -79.34 -48.08 14.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.723 0.296 . . . . 0.0 111.555 -179.61 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.409 ' CG ' ' HA ' ' A' ' 27' ' ' PHE . 11.6 ptp -59.67 -49.74 76.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.136 -179.707 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -60.74 -36.74 79.65 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.774 0.321 . . . . 0.0 110.355 179.727 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.434 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.5 OUTLIER -59.35 -45.77 90.45 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.982 0.42 . . . . 0.0 110.08 179.151 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.11 -47.05 69.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.276 179.245 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.525 ' CE2' ' CD1' ' A' ' 59' ' ' TRP . 10.0 t80 -47.43 -48.89 26.31 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.644 179.759 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.34 -29.22 64.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.641 179.666 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -31.85 69.3 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.743 179.901 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.485 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 13.1 mm100 -85.14 -20.72 29.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.205 179.943 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' 42' ' ' HIS . 5.0 m -63.81 -29.41 70.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.748 0.308 . . . . 0.0 110.773 179.905 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 mt -61.85 -31.81 72.09 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.624 -179.559 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.491 ' HG ' ' HG ' ' A' ' 41' ' ' LEU . 1.6 pp -87.23 -26.65 23.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.721 0.296 . . . . 0.0 110.68 -179.975 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.491 ' HG ' ' HG ' ' A' ' 40' ' ' LEU . 5.2 mt -95.51 1.82 54.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.075 179.351 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.406 ' HB2' ' O ' ' A' ' 38' ' ' SER . 6.8 t60 -73.48 133.62 80.18 Favored Pre-proline 0 C--N 1.332 -0.195 0 CA-C-O 120.674 0.273 . . . . 0.0 110.774 -179.859 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -46.22 -24.92 2.73 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.942 2.428 . . . . 0.0 112.881 -179.83 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -71.83 -26.54 62.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.039 -179.842 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 45.9 mmtt -117.4 28.86 8.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.943 0.401 . . . . 0.0 110.489 179.641 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 101.2 -91.5 0.95 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.126 -179.741 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.65 133.79 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.915 179.659 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.24 146.17 24.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.78 0.324 . . . . 0.0 110.647 179.736 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -66.16 -24.59 66.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.156 -179.893 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.68 -49.15 7.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.318 -179.914 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.405 ' HB3' HD23 ' A' ' 41' ' ' LEU . 0.4 OUTLIER -55.17 -50.53 69.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.565 -179.621 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.3 tpt -55.05 -44.34 74.61 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.397 -179.542 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -75.8 -30.98 59.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.959 -179.874 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.16 -51.23 64.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.46 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 9.3 tp -62.51 -41.56 98.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.829 -179.908 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -63.62 -25.28 68.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.046 179.975 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.8 t -79.01 -49.16 13.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.355 -179.731 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.463 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 9.0 mt -69.53 -26.23 64.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.107 -179.736 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.559 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 60.2 t-105 -90.44 -23.43 21.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.352 . . . . 0.0 110.142 179.619 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.07 -64.31 2.71 Favored Glycine 0 C--N 1.335 0.486 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.169 179.635 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.536 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -52.11 -49.51 63.48 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 178.919 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.536 ' N ' ' CG2' ' A' ' 61' ' ' THR . 3.2 t80 -45.45 -51.11 11.97 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 113.431 -1.713 . . . . 0.0 109.354 177.462 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.559 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -54.38 -40.93 68.65 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 114.056 -1.429 . . . . 0.0 111.303 179.743 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 54.1 m -45.81 -39.59 8.6 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.194 0.521 . . . . 0.0 109.736 179.362 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -85.43 -31.82 22.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.727 178.632 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.541 ' HB ' ' HA ' ' A' ' 63' ' ' LYS . 47.5 t . . . . . 0 N--CA 1.457 -0.116 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.146 -179.78 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.673 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.6 OUTLIER . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 121.006 0.431 . . . . 0.0 111.6 . . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.7 p -87.38 -172.47 3.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.218 179.697 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.584 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 2.0 ttt-85 -58.07 -34.25 69.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.434 -179.645 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.36 -51.02 26.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.718 0.294 . . . . 0.0 111.584 -179.718 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.673 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 13.2 m-20 -61.06 -50.14 74.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.044 -179.668 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.573 ' HE3' ' HA ' ' A' ' 7' ' ' ARG . 0.4 OUTLIER -60.21 -31.94 70.63 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.397 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.584 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 1.4 tt0 -65.68 -35.65 81.36 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 178.396 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.4 tpp180 -69.72 -28.13 65.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.246 179.349 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.446 HD12 ' HB2' ' A' ' 59' ' ' TRP . 1.8 tp -67.44 -32.61 73.58 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.076 179.316 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.429 ' CD2' HD22 ' A' ' 19' ' ' LEU . 20.1 mt -75.29 -37.8 60.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.85 -46.36 74.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.963 179.896 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.509 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 11.1 mp -79.54 -13.22 59.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.909 -179.934 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.511 HD13 ' HB2' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -90.18 -9.03 49.68 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.674 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.63 19.01 3.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.405 0.621 . . . . 0.0 110.072 -178.51 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.485 ' CD1' HD23 ' A' ' 23' ' ' LEU . 4.2 tt -112.89 110.09 52.09 Favored Pre-proline 0 N--CA 1.449 -0.483 0 CA-C-N 115.175 -0.921 . . . . 0.0 109.795 -179.363 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.513 ' O ' HD12 ' A' ' 23' ' ' LEU . 88.3 Cg_exo -46.55 169.39 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.994 2.463 . . . . 0.0 113.713 -178.556 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.57 -10.7 42.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.112 179.519 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -36.37 74.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.747 -179.5 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.513 HD12 ' O ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -98.27 10.72 40.0 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.305 -179.894 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 60.6 t-105 -54.87 92.37 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.024 179.35 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 163.86 -27.98 0.22 Allowed Glycine 0 CA--C 1.518 0.252 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.805 179.991 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.416 ' O ' ' HG2' ' A' ' 30' ' ' MET . 12.8 t0 -78.66 101.64 7.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.635 0.255 . . . . 0.0 111.003 -179.841 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.469 ' CD1' HG12 ' A' ' 66' ' ' VAL . 25.5 t80 -54.24 -32.69 56.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.798 -179.599 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.69 -32.77 63.91 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 120.56 -0.829 . . . . 0.0 113.246 -179.212 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.89 -37.12 24.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.702 0.251 . . . . 0.0 111.653 -179.333 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.416 ' HG2' ' O ' ' A' ' 26' ' ' ASP . 19.0 ptp -67.89 -44.81 76.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.626 0.25 . . . . 0.0 110.964 -179.773 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -64.31 -41.74 96.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.923 0.392 . . . . 0.0 110.178 179.525 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -56.04 -33.91 65.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.279 179.338 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.426 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -79.54 -45.05 20.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.379 179.439 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.511 ' HB2' HD13 ' A' ' 17' ' ' LEU . 10.8 t80 -55.02 -44.69 74.82 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.639 179.558 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.2 mttm -67.58 -37.98 83.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.087 -179.842 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -60.24 -38.28 82.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.023 -179.654 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.509 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 31.1 mm-40 -88.71 -21.8 23.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.261 -179.875 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.1 p -66.03 -33.55 76.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.793 0.33 . . . . 0.0 110.559 179.563 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.1 mt -68.59 -42.35 78.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.817 179.9 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 pp -81.64 -8.5 59.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.26 179.697 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.41 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 22.6 mt -95.24 -0.59 52.89 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 120.609 0.242 . . . . 0.0 111.389 179.723 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.42 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 4.5 t-160 -86.22 123.27 71.82 Favored Pre-proline 0 CA--C 1.532 0.275 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.768 -179.708 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.442 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 88.7 Cg_exo -42.36 -21.49 0.18 Allowed 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.833 2.355 . . . . 0.0 113.696 -179.928 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.51 -28.24 41.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.828 0.347 . . . . 0.0 111.065 -179.879 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.5 mmtt -103.97 30.22 5.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.807 179.83 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.2 56.24 7.13 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.601 179.928 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.442 ' O ' ' HA ' ' A' ' 43' ' ' PRO . . . -136.12 162.63 25.06 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.442 179.983 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.41 159.93 16.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.859 0.362 . . . . 0.0 110.815 179.943 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -81.98 -47.6 12.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.644 179.706 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.431 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -58.77 -24.37 61.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.196 179.944 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.41 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 0.9 OUTLIER -75.4 -50.83 14.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.333 -179.562 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -43.05 97.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.261 -179.569 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.01 -30.29 68.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.123 -179.859 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 4.6 tt0 -61.52 -55.88 26.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.614 179.803 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.5 tp -56.38 -36.95 69.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.107 179.988 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -61.39 -29.36 69.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.667 179.873 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.2 t -73.54 -37.72 65.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.958 179.973 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.433 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 15.1 mt -83.83 -30.61 26.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.009 -179.974 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.655 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 69.1 t-105 -90.0 -17.87 27.05 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.096 -179.931 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.01 -61.82 2.95 Favored Glycine 0 C--N 1.336 0.54 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.923 179.335 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.542 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -56.56 -50.18 72.66 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 179.005 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.542 ' N ' ' CG2' ' A' ' 61' ' ' THR . 4.7 t80 -44.28 -53.06 7.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 113.545 -1.661 . . . . 0.0 109.221 177.9 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.655 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 2.3 ttmt -54.4 -43.52 71.52 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.383 -1.28 . . . . 0.0 111.091 179.182 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 36.4 m -48.67 -36.88 17.02 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 179.141 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -85.38 -30.86 23.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.668 178.275 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.549 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 54.5 t . . . . . 0 C--O 1.231 0.121 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 tpt . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.786 0.327 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -78.28 104.34 8.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -104.29 94.03 5.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.948 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.495 ' O ' HG23 ' A' ' 4' ' ' VAL . 31.5 m -137.3 124.26 29.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.215 0.531 . . . . 0.0 111.526 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.742 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.3 OUTLIER -89.49 145.92 24.97 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.251 179.528 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 p -90.19 -172.88 3.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.495 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.9 mtt-85 -58.79 -40.88 85.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 110.661 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.14 -39.22 94.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.709 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.742 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 48.1 m-20 -75.83 -52.94 9.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.748 -0.206 . . . . 0.0 111.221 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -60.4 -34.51 74.04 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.009 0.433 . . . . 0.0 110.42 179.728 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.463 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 7.4 tp10 -67.72 -34.19 76.36 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.991 179.041 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.2 tpt180 -65.33 -32.81 74.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.911 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.1 tp -65.71 -33.86 76.84 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.917 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.443 ' HG ' ' CZ3' ' A' ' 24' ' ' TRP . 11.4 mt -69.98 -41.37 74.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.318 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.29 -41.35 79.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.087 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.2 mt -79.05 -18.41 53.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.295 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.478 ' HA ' ' HG3' ' A' ' 37' ' ' GLN . 6.9 mp -88.5 -4.33 58.63 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 54.25 19.26 2.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.31 0.576 . . . . 0.0 110.077 -178.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.503 ' CD1' HD23 ' A' ' 23' ' ' LEU . 3.5 tt -109.86 110.35 59.12 Favored Pre-proline 0 N--CA 1.45 -0.44 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.939 -179.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.528 ' O ' HD13 ' A' ' 23' ' ' LEU . 81.7 Cg_exo -46.83 167.21 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.694 2.262 . . . . 0.0 113.29 -178.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.43 -3.8 57.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.246 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -79.13 -31.4 44.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.993 0.425 . . . . 0.0 111.121 -179.146 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.528 HD13 ' O ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -101.43 10.05 40.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.265 179.786 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.443 ' CZ3' ' HG ' ' A' ' 14' ' ' LEU . 36.2 t-105 -55.69 108.31 0.43 Allowed 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.188 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 148.85 -29.71 1.26 Allowed Glycine 0 C--N 1.333 0.362 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.744 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.412 ' O ' ' HG2' ' A' ' 30' ' ' MET . 19.5 t0 -78.74 92.67 4.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.71 0.29 . . . . 0.0 111.179 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.441 ' HA ' ' CG ' ' A' ' 30' ' ' MET . 7.7 t80 -43.94 -43.31 6.45 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.686 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.447 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -57.86 -42.54 94.7 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.858 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -71.5 -52.87 16.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.647 0.26 . . . . 0.0 111.672 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.441 ' CG ' ' HA ' ' A' ' 27' ' ' PHE . 13.9 ptp -56.69 -47.23 80.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.505 -179.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.431 ' NE2' ' CZ ' ' A' ' 27' ' ' PHE . 18.1 tt0 -63.0 -35.92 81.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.895 0.379 . . . . 0.0 110.244 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.447 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.8 OUTLIER -63.91 -37.13 86.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.811 179.03 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.459 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -79.43 -29.31 41.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.053 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.432 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 9.8 t80 -69.04 -41.07 78.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.686 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.14 -52.63 46.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.971 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.456 ' HG2' ' HA ' ' A' ' 33' ' ' ALA . 1.3 pt20 -59.59 -29.76 68.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.723 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.478 ' HG3' ' HA ' ' A' ' 17' ' ' LEU . 95.8 mm-40 -86.62 -23.66 25.62 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.956 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.407 ' OG ' ' CE1' ' A' ' 34' ' ' TYR . 1.7 m -77.49 -30.78 53.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.669 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.499 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 5.7 mt -77.77 -24.82 48.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.468 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.452 HD22 ' HA ' ' A' ' 37' ' ' GLN . 4.3 pp -89.98 -18.94 25.09 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.949 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.6 mt -94.77 -3.56 48.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.819 0.343 . . . . 0.0 110.782 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -66.62 134.65 94.35 Favored Pre-proline 0 N--CA 1.455 -0.184 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.858 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_exo -43.89 -48.81 8.81 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.928 2.419 . . . . 0.0 113.364 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.42 -12.79 55.73 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.749 0.278 . . . . 0.0 111.749 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.499 ' HG3' ' O ' ' A' ' 39' ' ' LEU . 5.8 mmtp -112.5 30.93 6.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.37 . . . . 0.0 111.064 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 62.39 90.29 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.61 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -169.74 165.24 38.64 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.425 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.95 154.07 20.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.897 0.38 . . . . 0.0 110.688 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -82.69 -40.51 20.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.71 -21.1 54.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.39 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.7 mp -83.95 -51.59 7.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.165 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -31.25 69.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.508 -179.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -77.15 -32.71 56.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.867 0.365 . . . . 0.0 111.142 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.53 -36.8 68.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.938 0.399 . . . . 0.0 110.348 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.432 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 6.1 tp -71.08 -43.25 68.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.533 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -60.84 -31.13 70.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.705 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.5 p -81.55 -45.22 16.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.798 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.481 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 2.8 mt -65.13 -27.74 68.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.527 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 61.9 t-105 -90.63 -27.12 19.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.183 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.9 -63.89 3.28 Favored Glycine 0 C--N 1.333 0.401 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.148 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.535 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -51.9 -49.49 62.92 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 179.084 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.535 ' N ' ' CG2' ' A' ' 61' ' ' THR . 3.1 t80 -44.03 -52.16 7.28 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 113.418 -1.719 . . . . 0.0 109.138 177.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.576 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 0.3 OUTLIER -58.68 -37.76 76.75 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.003 -1.453 . . . . 0.0 110.841 179.397 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.46 ' HB ' ' O ' ' A' ' 61' ' ' THR . 54.7 m -49.06 -37.81 22.17 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 109.487 -0.561 . . . . 0.0 109.487 179.083 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -85.12 -30.92 23.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.504 178.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.681 ' HA ' HD22 ' A' ' 69' ' ' LEU . 74.1 t -53.97 -46.69 65.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.717 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.3 -27.32 62.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.977 0.418 . . . . 0.0 110.174 179.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -91.0 -27.13 18.85 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.388 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.681 HD22 ' HA ' ' A' ' 66' ' ' VAL . 0.4 OUTLIER -62.69 -21.56 65.83 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 120.841 0.353 . . . . 0.0 110.572 -179.517 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -74.73 1.07 13.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.869 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.1 mtt -108.13 -30.11 8.58 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.665 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -83.03 115.6 21.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.954 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.1 mp -136.05 27.43 3.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -146.08 -103.08 0.35 Allowed Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 175.1 -58.61 0.12 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.51 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.4 p -62.94 148.77 46.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.877 0.37 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 169.14 59.59 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.423 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -88.62 110.73 21.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.838 0.351 . . . . 0.0 110.932 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.629 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 mmt . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.859 0.361 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -129.71 -64.91 0.86 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.599 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -146.92 97.46 2.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.836 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 4' ' ' VAL . 15.8 m -139.14 120.07 15.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.302 0.573 . . . . 0.0 111.296 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.789 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.3 OUTLIER -68.59 146.83 52.72 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.558 179.551 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.6 p -90.33 -170.32 2.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.933 -178.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.422 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -62.49 -29.43 70.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.899 179.645 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.414 ' N ' ' HG2' ' A' ' 7' ' ' ARG . . . -76.54 -32.64 58.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.282 -179.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.789 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 2.9 m-20 -89.77 -47.0 8.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.816 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.495 ' HD3' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -59.91 -28.46 67.6 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.839 0.352 . . . . 0.0 110.756 179.717 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 12' ' ' ARG . 3.2 pt-20 -69.76 -31.4 69.34 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.438 ' N ' ' HG3' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -60.75 -39.42 88.63 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.528 178.887 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.43 ' CD1' ' HB2' ' A' ' 59' ' ' TRP . 4.9 tp -65.12 -35.56 81.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.009 179.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.46 ' HG ' ' CZ3' ' A' ' 24' ' ' TRP . 10.6 mt -66.87 -40.78 87.95 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.982 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -56.03 -52.67 63.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.5 mt -72.36 -12.45 61.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.994 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.444 HD23 ' N ' ' A' ' 17' ' ' LEU . 1.4 mm? -90.45 -10.45 43.68 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 mptt 52.8 20.32 1.56 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.201 0.524 . . . . 0.0 110.263 -178.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.483 ' CD1' HD22 ' A' ' 23' ' ' LEU . 4.9 tt -109.93 112.14 58.13 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.999 -179.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.512 ' O ' HD13 ' A' ' 23' ' ' LEU . 82.8 Cg_exo -46.06 167.03 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.701 2.267 . . . . 0.0 113.396 -178.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -90.25 -2.51 58.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.313 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.72 -24.55 31.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.733 -178.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.512 HD13 ' O ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -108.79 10.47 26.65 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.823 179.308 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.495 ' CZ2' ' HD3' ' A' ' 10' ' ' LYS . 44.1 t-105 -56.05 97.58 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.847 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 160.08 -28.88 0.35 Allowed Glycine 0 CA--C 1.517 0.21 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.212 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.408 ' HB3' ' HB2' ' A' ' 29' ' ' ARG . 22.3 t0 -76.53 93.58 3.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.887 0.375 . . . . 0.0 110.91 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.442 ' HA ' ' CG ' ' A' ' 30' ' ' MET . 16.5 t80 -46.59 -40.5 12.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.866 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.71 -33.7 87.94 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.826 -0.702 . . . . 0.0 113.476 -179.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.408 ' HB2' ' HB3' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -81.65 -43.74 18.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.82 0.31 . . . . 0.0 111.44 -179.385 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.442 ' CG ' ' HA ' ' A' ' 27' ' ' PHE . 12.9 ptp -61.39 -47.92 83.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.207 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -66.29 -35.25 79.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.738 0.304 . . . . 0.0 110.58 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.65 -44.04 89.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.04 0.448 . . . . 0.0 110.244 179.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.22 -40.38 74.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.891 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.449 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 6.7 t80 -53.24 -48.43 68.22 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.684 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.405 ' HA ' ' OG ' ' A' ' 38' ' ' SER . 4.5 mttp -67.32 -31.61 72.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.081 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -70.28 -38.13 74.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.023 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.484 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 1.4 mm-40 -90.2 -23.49 21.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.442 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.405 ' OG ' ' HA ' ' A' ' 35' ' ' LYS . 84.3 p -72.68 -30.88 64.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.845 0.355 . . . . 0.0 110.515 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.24 -30.71 63.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.349 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 4.6 pp -83.82 -21.16 32.18 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.707 0.289 . . . . 0.0 110.965 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.3 mt -95.37 16.57 16.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.802 0.334 . . . . 0.0 110.791 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -85.83 134.65 39.02 Favored Pre-proline 0 N--CA 1.453 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.457 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -43.52 -37.56 7.98 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.708 2.272 . . . . 0.0 112.8 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -64.7 -16.38 62.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.688 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 35.2 mmtt -111.81 31.04 6.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.787 0.327 . . . . 0.0 111.074 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.65 66.87 2.5 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.595 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -137.66 171.0 23.45 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.367 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.02 151.6 21.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.826 0.346 . . . . 0.0 110.837 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -79.57 -45.17 19.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.403 ' HA ' ' CG ' ' A' ' 53' ' ' GLN . . . -58.68 -24.26 60.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.406 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.1 mp -74.08 -59.8 2.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.193 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 10.4 tpt -55.17 -44.12 74.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.365 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.403 ' CG ' ' HA ' ' A' ' 50' ' ' ALA . 1.3 pp0? -67.01 -29.89 69.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.045 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.7 -39.25 93.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.842 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.449 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 16.5 tp -69.18 -34.7 75.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.727 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -65.34 -30.23 71.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.076 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.25 -30.83 66.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.464 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 2.3 mt -89.57 -29.32 18.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.05 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.594 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 66.0 t-105 -88.91 -21.41 23.63 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.23 -60.23 3.63 Favored Glycine 0 C--N 1.334 0.428 0 C-N-CA 121.019 -0.61 . . . . 0.0 111.989 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.592 ' CG2' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -55.05 -49.2 72.18 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 106.829 -1.545 . . . . 0.0 106.829 179.239 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.64 ' O ' ' HG3' ' A' ' 65' ' ' GLU . 5.5 t80 -46.85 -55.25 8.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 113.159 -1.837 . . . . 0.0 109.647 177.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.594 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 1.0 OUTLIER -49.22 -37.95 24.73 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.374 179.682 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.425 ' HB ' ' O ' ' A' ' 61' ' ' THR . 85.4 m -54.46 -43.02 71.31 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 178.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.64 ' HG3' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -84.75 -20.63 30.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.31 178.627 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.578 ' HB ' ' HA ' ' A' ' 63' ' ' LYS . 23.2 t -57.13 -40.77 75.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 CA-C-O 121.014 0.435 . . . . 0.0 110.825 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.45 -38.36 84.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.077 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.497 ' ND2' ' HA ' ' A' ' 65' ' ' GLU . 26.0 p30 -87.01 -11.47 50.31 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.804 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.522 ' CD2' ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -66.38 -40.1 89.51 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.843 0.354 . . . . 0.0 110.76 -179.853 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.4 mtm105 -78.06 1.28 21.55 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.767 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 9.4 mtt -117.73 15.07 14.47 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.178 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -101.41 -73.24 0.66 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.899 0.381 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.5 mt -84.38 87.38 7.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.7 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -136.41 -168.7 11.53 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.355 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 149.63 44.64 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.554 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 68.3 p -74.34 130.96 40.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.786 0.327 . . . . 0.0 110.745 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.44 -54.93 0.95 Allowed Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.327 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -90.24 121.93 32.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.822 0.344 . . . . 0.0 110.764 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.865 179.933 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 mtt . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 120.739 0.304 . . . . 0.0 111.57 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.93 115.26 3.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.026 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -141.72 73.22 1.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.731 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 4' ' ' VAL . 29.8 m -134.02 125.42 48.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.243 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.757 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER -87.68 145.41 26.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.338 0.589 . . . . 0.0 112.03 179.847 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.0 p -90.77 -167.97 1.96 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.673 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.408 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -62.32 -38.63 90.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.94 179.809 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.97 -48.28 74.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.316 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.757 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 5.8 m-20 -64.32 -55.14 23.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.684 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.467 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -57.93 -32.0 67.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.919 0.39 . . . . 0.0 110.171 179.644 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 13.0 tt0 -69.38 -35.44 75.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.806 178.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -65.68 -36.18 82.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.796 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 tp -64.07 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.006 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.431 HD21 ' CD2' ' A' ' 19' ' ' LEU . 12.5 mt -69.9 -42.46 73.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.352 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.93 -46.54 74.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.6 -13.55 60.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.852 179.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.468 HD11 ' CA ' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -89.93 -7.73 53.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.82 -179.787 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.55 19.44 3.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.399 0.619 . . . . 0.0 109.656 -178.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.581 HD13 ' HG2' ' A' ' 29' ' ' ARG . 6.0 tt -113.23 110.96 50.43 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.856 -179.115 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.526 ' O ' HD11 ' A' ' 23' ' ' LEU . 73.9 Cg_exo -50.08 166.83 0.25 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.645 2.23 . . . . 0.0 113.214 -178.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.78 -3.29 58.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.394 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -79.03 -32.67 45.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.075 0.464 . . . . 0.0 111.149 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.555 HD23 HD23 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -102.75 10.92 38.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.201 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.467 ' CH2' ' HB2' ' A' ' 10' ' ' LYS . 25.0 t-105 -55.01 105.81 0.18 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.98 0.419 . . . . 0.0 110.858 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 151.6 -27.22 0.95 Allowed Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.444 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -80.42 94.01 6.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.516 0.198 . . . . 0.0 111.026 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.585 ' CD1' HG13 ' A' ' 66' ' ' VAL . 19.8 t80 -47.48 -41.73 21.31 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.883 0.373 . . . . 0.0 111.377 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.453 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -60.01 -33.23 78.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.542 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.581 ' HG2' HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -81.29 -49.37 10.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.645 0.259 . . . . 0.0 111.395 -179.687 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.488 ' CG ' ' HA ' ' A' ' 27' ' ' PHE . 15.1 ptp -61.77 -49.12 77.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.524 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -62.94 -39.65 95.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.786 0.327 . . . . 0.0 110.259 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.453 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.5 OUTLIER -61.31 -32.41 72.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.903 179.213 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.436 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -81.28 -43.19 19.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.293 179.283 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.502 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 17.1 t80 -53.38 -48.78 68.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.79 179.544 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.48 -32.47 70.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.771 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.02 -41.83 98.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.708 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.429 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 77.5 mm-40 -86.25 -18.38 32.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.101 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.4 m -72.18 -38.34 69.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.435 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.424 ' O ' ' HD3' ' A' ' 45' ' ' LYS . 4.3 mt -62.73 -33.05 74.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.158 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.565 HD11 ' HG ' ' A' ' 41' ' ' LEU . 4.1 pp -87.92 -15.89 35.38 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.919 -0.313 . . . . 0.0 110.879 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.565 ' HG ' HD11 ' A' ' 40' ' ' LEU . 45.0 mt -95.34 7.94 44.67 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 120.7 0.286 . . . . 0.0 111.026 178.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.438 ' ND1' ' HD2' ' A' ' 43' ' ' PRO . 16.1 t60 -87.27 133.62 38.24 Favored Pre-proline 0 N--CA 1.455 -0.209 0 CA-C-O 120.711 0.291 . . . . 0.0 110.992 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.438 ' HD2' ' ND1' ' A' ' 42' ' ' HIS . 81.2 Cg_exo -46.14 -30.56 7.73 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.087 2.525 . . . . 0.0 112.837 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -70.01 -11.9 61.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.285 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.469 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 2.5 mptp? -123.56 29.71 6.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.909 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.3 67.04 2.2 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.604 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -137.12 169.15 24.09 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.521 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.02 145.21 25.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.788 0.328 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -76.6 -46.66 25.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.711 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.38 -32.67 64.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.354 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.97 -49.41 65.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.02 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.447 ' HE2' ' HA ' ' A' ' 52' ' ' MET . 0.0 OUTLIER -65.36 -27.23 68.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.233 -179.708 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -78.57 -40.89 33.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.653 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -63.68 -45.21 91.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.713 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.502 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 13.4 tp -58.84 -47.28 85.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.08 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -57.21 -27.7 62.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.046 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.0 m -71.13 -43.88 66.7 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.041 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.438 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 9.7 mt -75.95 -28.83 58.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.775 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.58 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 68.9 t-105 -89.44 -18.05 27.53 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.425 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.1 -63.06 2.47 Favored Glycine 0 C--N 1.334 0.431 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.885 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.539 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -55.3 -49.94 70.84 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 178.92 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.539 ' N ' ' CG2' ' A' ' 61' ' ' THR . 4.0 t80 -44.16 -49.5 9.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 113.517 -1.674 . . . . 0.0 109.467 178.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.58 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 2.8 ttmt -57.38 -39.72 76.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.308 -1.315 . . . . 0.0 111.495 179.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 95.6 m -49.22 -38.18 25.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.333 0.587 . . . . 0.0 109.476 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -84.35 -30.22 25.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.463 178.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.585 HG13 ' CD1' ' A' ' 27' ' ' PHE . 50.7 t -53.25 -46.79 57.14 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.015 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -55.88 -26.77 48.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.073 0.463 . . . . 0.0 110.319 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -90.76 -24.11 20.46 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.412 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 66' ' ' VAL . 0.7 OUTLIER -69.67 -22.12 63.47 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.756 0.312 . . . . 0.0 111.045 -179.734 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -79.17 1.1 25.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.104 0.478 . . . . 0.0 111.327 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 27.6 mmm -110.73 -57.42 2.23 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.824 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -60.02 99.42 0.07 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.165 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.9 mt -87.16 87.34 7.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.716 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.25 -165.55 15.92 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.519 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -157.46 -164.35 13.67 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.402 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 23.5 m -77.84 131.21 37.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.791 0.329 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.7 21.93 3.46 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.679 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.421 ' HD1' ' O ' ' A' ' 79' ' ' GLN . 34.8 p90 -71.97 157.59 37.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.9 0.381 . . . . 0.0 110.878 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.421 ' O ' ' HD1' ' A' ' 78' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.168 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.066 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.778 0.323 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.11 -174.02 0.23 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.89 79.7 2.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.96 0.409 . . . . 0.0 110.726 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.512 HG22 ' O ' ' A' ' 4' ' ' VAL . 25.3 m -139.11 117.89 12.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.931 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.737 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER -78.54 140.46 38.53 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.585 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 p -85.73 179.37 7.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.058 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 43.4 ttm-85 -50.83 -39.14 52.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.24 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.29 -48.9 68.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.601 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.737 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 5.5 m-20 -63.19 -57.09 11.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.034 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -55.65 -33.43 64.05 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.008 0.433 . . . . 0.0 110.034 179.605 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.41 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 10.8 tt0 -69.6 -33.92 73.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.317 178.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 40.5 ttt85 -66.1 -37.31 85.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.726 178.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.461 ' HB2' ' HB3' ' A' ' 58' ' ' LEU . 1.8 tp -60.18 -36.77 78.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.945 179.209 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.461 HD21 HD23 ' A' ' 19' ' ' LEU . 10.5 mt -68.0 -37.03 80.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.662 179.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.3 -38.53 68.77 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.961 0.41 . . . . 0.0 110.419 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 mp -84.38 -19.02 34.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.745 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.465 HD11 ' N ' ' A' ' 34' ' ' TYR . 1.2 mm? -89.22 -6.42 56.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.93 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 mptt 56.03 19.2 3.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.366 0.603 . . . . 0.0 109.818 -178.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.553 HD22 HD23 ' A' ' 23' ' ' LEU . 4.6 tt -112.1 107.27 55.94 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.136 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.492 ' O ' HD13 ' A' ' 23' ' ' LEU . 64.3 Cg_exo -51.89 168.34 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.881 2.387 . . . . 0.0 113.766 -178.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.455 ' HG3' ' CD1' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -84.96 -6.24 59.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.132 179.388 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -76.61 -31.79 57.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.464 -178.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.553 HD23 HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -107.96 12.98 26.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.167 179.846 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 30.8 t-105 -55.38 106.21 0.22 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.117 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 150.04 -24.32 1.14 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.692 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -78.84 85.08 4.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.761 0.315 . . . . 0.0 110.972 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.462 ' CE1' HG13 ' A' ' 66' ' ' VAL . 14.2 t80 -44.57 -40.12 5.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.963 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.06 -40.41 97.04 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.787 -0.72 . . . . 0.0 113.209 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.441 ' HB3' HD12 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -77.23 -50.65 12.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.683 0.241 . . . . 0.0 111.586 -179.326 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.451 ' CG ' ' HA ' ' A' ' 27' ' ' PHE . 15.4 ptp -57.69 -45.42 85.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.595 0.236 . . . . 0.0 111.099 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -62.61 -38.9 92.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.962 0.41 . . . . 0.0 109.947 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -63.25 -33.19 74.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.776 179.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.3 -41.0 25.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.371 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.467 ' CE2' ' CG ' ' A' ' 59' ' ' TRP . 11.9 t80 -54.32 -42.86 70.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.984 0.421 . . . . 0.0 110.371 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.404 ' HA ' ' HB2' ' A' ' 38' ' ' SER . 0.7 OUTLIER -76.33 -37.55 57.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.53 179.783 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -60.62 -37.69 82.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.344 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.539 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 17.5 mm100 -87.37 -20.96 25.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.941 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.404 ' HB2' ' HA ' ' A' ' 35' ' ' LYS . 1.5 m -66.69 -27.15 67.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.851 0.358 . . . . 0.0 110.582 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.03 -31.39 62.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.209 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 4.4 pp -89.43 -15.21 33.7 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.101 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 87.9 mt -92.24 5.47 50.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.627 0.251 . . . . 0.0 111.269 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.494 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 4.0 t60 -87.8 135.93 33.24 Favored Pre-proline 0 C--N 1.331 -0.198 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.494 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 15.4 Cg_endo -58.03 -2.92 0.95 Allowed 'Trans proline' 0 CA--C 1.532 0.403 0 C-N-CA 122.79 2.326 . . . . 0.0 113.436 -179.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.01 -25.39 20.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.723 0.297 . . . . 0.0 110.944 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -105.59 30.91 5.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.722 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.06 32.81 85.41 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.556 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -95.51 174.84 32.47 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.576 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.0 m -90.05 149.03 22.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.746 0.308 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 35.3 t-80 -83.23 -39.25 21.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.459 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -66.17 -27.51 68.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.419 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.56 -51.28 17.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.735 0.302 . . . . 0.0 111.115 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.12 -48.0 68.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.459 -179.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -69.08 -31.12 69.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.215 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.459 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 16.1 tt0 -63.86 -50.86 67.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.775 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.9 tp -56.44 -37.8 70.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.079 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -65.91 -29.83 70.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.8 t -78.69 -35.84 44.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.143 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.461 ' HB3' ' HB2' ' A' ' 13' ' ' LEU . 1.4 mt -83.89 -30.96 25.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.118 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.645 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 73.5 t-105 -85.3 -15.7 42.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.542 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.88 -65.21 2.0 Allowed Glycine 0 C--N 1.333 0.398 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.401 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.525 ' CG2' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -55.15 -49.52 71.61 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 179.451 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.523 ' N ' ' CG2' ' A' ' 61' ' ' THR . 3.0 t80 -44.16 -53.14 6.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 113.564 -1.653 . . . . 0.0 109.488 178.101 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.645 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 2.4 ttmt -53.71 -41.78 67.33 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.265 -1.334 . . . . 0.0 111.142 179.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 28.2 m -48.3 -37.11 15.59 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -85.54 -31.25 22.81 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.635 178.22 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.543 ' HB ' ' HA ' ' A' ' 63' ' ' LYS . 89.1 t -57.01 -58.01 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.196 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -49.33 -33.83 14.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.83 0.348 . . . . 0.0 110.967 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -90.64 -21.13 21.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.646 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.423 ' CD1' ' C ' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -58.62 -32.66 69.23 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 120.789 0.328 . . . . 0.0 110.803 -179.269 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.424 ' NH1' ' CD2' ' A' ' 27' ' ' PHE . 46.1 mtm-85 -78.3 0.98 23.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.669 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.0 mtt -120.27 -49.97 2.26 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.433 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -63.39 148.76 47.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.808 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.22 -67.18 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.806 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.37 170.38 44.77 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.479 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 153.77 -23.46 0.72 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.725 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 30.7 p -62.28 144.76 55.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.337 . . . . 0.0 110.943 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 173.67 -50.19 0.15 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.375 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -79.69 137.9 37.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.745 0.307 . . . . 0.0 110.705 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.96 -179.89 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.2 mtt . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 120.852 0.358 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -67.72 -169.07 0.11 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.815 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -91.62 88.76 6.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.905 0.383 . . . . 0.0 110.771 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.7 m -80.95 137.76 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.701 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.655 ' HB2' ' HB3' ' A' ' 9' ' ' ASP . 1.4 pt? -90.69 124.87 35.43 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.102 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.8 p -64.12 179.11 0.58 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.643 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.414 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 1.6 ttt180 -59.24 -33.47 71.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.28 -29.68 64.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.629 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.655 ' HB3' ' HB2' ' A' ' 5' ' ' LEU . 8.8 m-20 -69.23 -57.98 4.64 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.56 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.505 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -50.0 -42.09 48.4 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.811 0.339 . . . . 0.0 110.448 179.756 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 7' ' ' ARG . 53.1 mt-10 -67.74 -35.43 78.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.138 179.062 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.67 -38.84 67.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.859 179.312 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.439 HD22 ' CD2' ' A' ' 62' ' ' PHE . 1.6 tp -61.05 -27.5 68.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.87 178.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.454 HD22 HD21 ' A' ' 19' ' ' LEU . 12.3 mt -75.33 -51.71 12.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.849 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -52.12 -24.71 7.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.181 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.441 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 3.5 mt -89.0 -30.74 18.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.24 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.449 ' CD1' HD11 ' A' ' 55' ' ' LEU . 7.3 mp -82.16 1.92 33.98 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.3 mttt 53.94 19.66 2.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.368 0.604 . . . . 0.0 110.062 -178.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.578 HD22 HD22 ' A' ' 23' ' ' LEU . 5.5 tt -109.36 111.21 59.93 Favored Pre-proline 0 N--CA 1.451 -0.425 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.951 -179.218 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.511 ' O ' HD12 ' A' ' 23' ' ' LEU . 73.0 Cg_exo -49.6 168.83 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.873 2.382 . . . . 0.0 113.736 -178.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.424 ' HA ' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -90.33 -3.09 57.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.233 179.372 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -79.57 -29.24 41.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.082 0.468 . . . . 0.0 110.896 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.578 HD22 HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -107.72 14.85 25.17 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.952 179.898 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.505 ' CH2' ' HB2' ' A' ' 10' ' ' LYS . 35.9 t-105 -58.24 89.04 0.01 OUTLIER 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.037 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 166.18 -29.5 0.19 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.749 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -76.72 88.65 3.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.902 0.382 . . . . 0.0 111.097 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.447 ' HA ' ' CG ' ' A' ' 30' ' ' MET . 4.7 t80 -46.09 -38.44 8.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.926 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.51 -34.89 90.81 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.834 -0.698 . . . . 0.0 113.042 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -79.83 -42.83 23.53 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 122.789 -0.242 . . . . 0.0 111.489 -179.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.451 ' HA ' HD13 ' A' ' 19' ' ' LEU . 10.7 ptp -69.59 -39.19 77.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.616 0.246 . . . . 0.0 111.198 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -64.24 -37.83 88.87 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -63.71 -40.38 96.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.987 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.7 -32.51 62.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.414 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.508 ' CE2' ' CG ' ' A' ' 59' ' ' TRP . 11.8 t80 -65.89 -40.87 91.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.484 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.45 -38.52 91.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.81 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -74.45 -48.25 28.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.442 ' HG2' ' HA ' ' A' ' 17' ' ' LEU . 3.3 mp0 -60.13 -27.48 67.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.94 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.1 m -70.88 -30.4 66.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.533 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.46 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 9.9 mt -70.15 -31.82 69.5 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.795 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.448 HD11 ' HG ' ' A' ' 41' ' ' LEU . 3.9 pp -88.76 -17.61 29.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.998 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.448 ' HG ' HD11 ' A' ' 40' ' ' LEU . 3.3 mt -95.6 -1.43 50.36 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.364 179.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -75.93 121.07 84.32 Favored Pre-proline 0 CA--C 1.529 0.172 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.096 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -42.64 -26.01 0.57 Allowed 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.811 2.34 . . . . 0.0 113.151 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.53 -11.86 54.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.526 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' A' ' 39' ' ' LEU . 30.1 mmtt -117.51 31.04 6.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.795 0.331 . . . . 0.0 110.902 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.66 21.59 79.52 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.6 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -91.73 170.18 33.34 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.419 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.21 155.43 19.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.864 0.364 . . . . 0.0 110.909 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -83.23 -50.96 7.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.79 -24.76 37.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.307 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.437 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 0.8 OUTLIER -77.46 -49.88 13.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.906 0.384 . . . . 0.0 111.272 -179.76 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 7.8 tpt -61.31 -52.02 66.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.366 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -61.49 -31.47 71.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.908 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -48.91 76.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.104 0.478 . . . . 0.0 110.391 179.602 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.449 HD11 ' CD1' ' A' ' 17' ' ' LEU . 3.1 tp -66.79 -37.27 84.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.03 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -62.27 -43.3 99.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.71 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.9 m -74.01 -30.58 62.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.794 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.541 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 1.4 mt -79.77 -22.53 43.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.916 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.565 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 64.4 t-105 -89.13 -17.57 28.95 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.106 179.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.433 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -81.11 -58.07 2.69 Favored Glycine 0 C--N 1.334 0.422 0 C-N-CA 120.875 -0.679 . . . . 0.0 111.807 178.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.602 ' CG2' HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -57.56 -48.58 78.94 Favored 'General case' 0 CA--C 1.515 -0.394 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 178.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.516 ' N ' ' CG2' ' A' ' 61' ' ' THR . 2.8 t80 -46.35 -57.47 4.59 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 113.695 -1.593 . . . . 0.0 109.412 177.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.565 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 3.2 ttmt -48.05 -46.06 32.94 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.298 -1.319 . . . . 0.0 111.413 179.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 92.1 m -50.75 -35.28 30.81 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.418 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 0.8 OUTLIER -84.9 -30.94 23.98 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.187 178.067 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.558 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 77.8 t -55.18 -42.56 66.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.343 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -64.34 -36.84 85.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.702 0.287 . . . . 0.0 111.131 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.418 ' ND2' ' HA ' ' A' ' 65' ' ' GLU . 19.0 p30 -89.15 -12.38 41.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.654 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.494 ' CD2' ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -64.92 -38.52 91.23 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 121.01 0.433 . . . . 0.0 110.263 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -74.96 1.05 13.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.862 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 27.6 mtp -115.94 -57.5 2.21 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.674 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -63.16 138.25 58.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.637 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.9 tt -128.19 -63.16 1.01 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -148.5 -141.01 3.41 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.53 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -156.74 -86.67 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.7 t -74.16 140.37 45.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.766 0.317 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 133.85 -27.5 3.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.437 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -70.42 168.02 16.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.89 0.376 . . . . 0.0 110.949 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 mtt . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 120.936 0.398 . . . . 0.0 111.385 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -79.53 117.76 20.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.069 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.15 106.78 3.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.671 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.437 ' O ' HG21 ' A' ' 4' ' ' VAL . 19.2 m -82.26 124.24 39.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.407 0.622 . . . . 0.0 111.387 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.701 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.6 OUTLIER -90.62 143.29 26.88 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.709 -179.918 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.7 p -83.39 -171.3 3.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.295 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.404 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . 2.5 ptm180 -60.23 -36.68 78.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.641 0.257 . . . . 0.0 111.333 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.3 -48.35 61.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.777 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.701 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 4.9 m-20 -63.15 -47.65 81.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.289 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 11' ' ' GLU . 9.3 pttp -59.93 -33.23 71.62 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.068 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.43 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 1.1 mt-10 -68.73 -36.19 78.1 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.581 178.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -64.52 -31.16 72.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.229 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.465 HD22 ' CD2' ' A' ' 62' ' ' PHE . 3.6 tp -63.76 -41.66 97.94 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 121.2 0.524 . . . . 0.0 109.713 179.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.501 ' CD1' ' HG2' ' A' ' 21' ' ' ARG . 14.9 mt -62.72 -40.8 98.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.283 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -52.1 -53.26 44.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.872 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.488 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 0.6 OUTLIER -74.96 -11.23 60.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.614 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.466 ' N ' HD22 ' A' ' 17' ' ' LEU . 1.3 mm? -90.47 -8.96 49.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.87 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 54.05 20.08 2.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.248 0.547 . . . . 0.0 110.103 -178.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.484 HD11 ' HB3' ' A' ' 29' ' ' ARG . 4.1 tt -110.04 109.95 58.88 Favored Pre-proline 0 N--CA 1.451 -0.423 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.017 -179.224 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.46 ' O ' HD13 ' A' ' 23' ' ' LEU . 74.3 Cg_exo -49.41 170.73 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.033 2.489 . . . . 0.0 114.128 -178.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.501 ' HG2' ' CD1' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -90.13 -3.41 57.91 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.502 179.73 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -82.88 -26.67 31.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.883 0.373 . . . . 0.0 111.284 -178.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -109.89 12.21 23.94 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.458 -179.791 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.443 ' CZ3' ' HG ' ' A' ' 14' ' ' LEU . 54.8 t-105 -52.31 101.15 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.989 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.75 -26.46 0.83 Allowed Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.782 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.415 ' O ' ' HG2' ' A' ' 30' ' ' MET . 15.0 t70 -76.69 91.73 3.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.668 0.271 . . . . 0.0 111.156 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.481 ' CD1' ' CG1' ' A' ' 66' ' ' VAL . 20.7 t80 -49.6 -34.58 18.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.796 -179.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.9 -36.9 91.75 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.828 -0.701 . . . . 0.0 113.487 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.484 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -81.73 -34.31 30.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.92 0.36 . . . . 0.0 111.867 -179.126 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.48 ' CG ' ' HA ' ' A' ' 27' ' ' PHE . 17.5 ptp -71.68 -45.98 60.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.551 0.215 . . . . 0.0 111.011 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -64.89 -37.76 88.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.944 0.402 . . . . 0.0 109.933 179.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.466 ' O ' ' HB2' ' A' ' 36' ' ' GLN . 2.5 mt-30 -61.85 -28.51 69.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.939 179.072 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.91 -43.66 13.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.616 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.486 ' CD2' ' CG ' ' A' ' 59' ' ' TRP . 9.1 t80 -51.62 -42.43 61.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.609 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.42 -39.14 47.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.733 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.466 ' HB2' ' O ' ' A' ' 32' ' ' GLN . 0.1 OUTLIER -61.5 -42.75 99.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.434 179.707 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 2.3 mp0 -81.12 -21.34 39.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.723 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.6 m -62.73 -26.24 68.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.921 0.391 . . . . 0.0 110.383 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 23.6 mt -70.44 -46.89 62.97 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.55 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.476 HD22 ' HA ' ' A' ' 37' ' ' GLN . 3.0 pp -68.94 -20.02 64.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.703 0.287 . . . . 0.0 110.859 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.1 mt -95.57 7.33 46.55 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.338 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.484 ' HD1' ' H ' ' A' ' 44' ' ' ASP . 51.0 t-80 -89.98 136.72 28.7 Favored Pre-proline 0 CA--C 1.531 0.232 0 CA-C-O 120.689 0.281 . . . . 0.0 110.425 179.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.422 ' HD2' ' ND1' ' A' ' 42' ' ' HIS . 73.5 Cg_exo -47.89 -12.91 0.17 Allowed 'Trans proline' 0 CA--C 1.533 0.429 0 C-N-CA 123.042 2.495 . . . . 0.0 113.904 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.484 ' H ' ' HD1' ' A' ' 42' ' ' HIS . 0.7 OUTLIER -88.84 -23.3 22.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.786 0.327 . . . . 0.0 111.012 -179.674 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.5 mptt -115.63 29.22 8.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.776 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.2 62.97 3.84 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.438 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -124.49 153.78 17.77 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.799 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.24 157.2 17.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.748 0.308 . . . . 0.0 111.008 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -79.26 -51.31 9.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.54 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.9 -25.39 7.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.504 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.5 mp -78.79 -51.95 9.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -30.07 69.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.004 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -77.09 -45.61 26.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.615 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.33 -41.64 93.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.578 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.452 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 7.5 tp -60.76 -51.45 69.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.389 179.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -57.02 -31.09 64.78 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.177 179.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 m -74.87 -49.72 19.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.131 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.485 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 5.0 mt -73.9 -25.66 60.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.404 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.561 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 60.0 t-105 -89.93 -17.68 27.51 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.94 -61.9 2.45 Favored Glycine 0 C--N 1.336 0.546 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.088 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.538 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -55.34 -50.07 70.59 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 179.194 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.538 ' N ' ' CG2' ' A' ' 61' ' ' THR . 7.0 t80 -43.82 -54.45 5.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 113.391 -1.732 . . . . 0.0 109.458 177.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.561 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 3.0 ttmt -51.15 -42.68 60.93 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.359 -1.291 . . . . 0.0 111.036 179.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 63.2 m -50.65 -35.79 32.39 Favored 'General case' 0 CA--C 1.521 -0.173 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -85.37 -29.0 24.8 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.59 178.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.59 ' HA ' HD23 ' A' ' 69' ' ' LEU . 71.9 t -58.98 -43.4 88.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.33 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -60.94 -37.97 84.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.72 0.295 . . . . 0.0 110.766 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -90.43 -12.97 35.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 112.076 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.59 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -65.26 -28.05 69.07 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.189 -179.876 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.1 mtt-85 -73.1 0.76 10.62 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.723 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.6 -24.86 10.74 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.676 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -92.67 37.62 1.01 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.886 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.58 14.6 12.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.268 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -137.19 -134.21 3.24 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.574 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.28 30.8 3.25 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.731 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 10.7 t -64.45 147.46 52.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.843 0.354 . . . . 0.0 110.761 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -101.04 -66.69 0.8 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.741 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -100.18 113.87 26.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.952 0.406 . . . . 0.0 111.207 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.15 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.2 mtt . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.766 0.317 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.07 146.18 48.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.836 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -100.33 77.9 1.99 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.027 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 4' ' ' VAL . 17.9 m -131.65 128.41 60.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.162 0.506 . . . . 0.0 111.017 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.774 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.0 pt? -88.47 146.12 25.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.009 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.5 p -88.19 -171.11 3.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.263 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.426 ' HG2' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -62.41 -32.9 73.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.778 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.426 ' N ' ' HG2' ' A' ' 7' ' ' ARG . . . -68.98 -33.86 74.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.312 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.774 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 3.3 m-20 -69.47 -56.94 5.96 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.109 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.555 ' N ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -60.09 -45.3 93.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.48 -179.398 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.49 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -63.63 -29.94 71.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.776 0.322 . . . . 0.0 110.941 -179.783 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -78.8 -34.43 45.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.04 0.448 . . . . 0.0 110.026 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 tp -66.2 -32.59 74.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.945 179.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.458 ' HG ' ' CZ3' ' A' ' 24' ' ' TRP . 12.8 mt -69.57 -35.32 75.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.53 179.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -58.34 -46.24 86.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.445 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.5 mt -76.23 -16.3 59.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.816 179.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.502 HD13 ' HB2' ' A' ' 33' ' ' ALA . 1.1 mm? -90.17 -9.94 46.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.587 -179.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.29 22.38 1.37 Allowed 'General case' 0 C--O 1.231 0.098 0 CA-C-O 121.37 0.605 . . . . 0.0 109.955 -178.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.589 ' CD1' HD21 ' A' ' 23' ' ' LEU . 3.9 tt -112.78 111.7 51.19 Favored Pre-proline 0 N--CA 1.449 -0.496 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.776 -178.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.493 ' O ' HD12 ' A' ' 23' ' ' LEU . 80.5 Cg_exo -45.41 166.55 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.71 2.273 . . . . 0.0 113.432 -178.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.02 -3.15 58.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.169 179.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.77 -31.3 46.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.031 0.443 . . . . 0.0 111.012 -179.206 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.589 HD21 ' CD1' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -106.91 19.49 20.39 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.659 179.829 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.458 ' CZ3' ' HG ' ' A' ' 14' ' ' LEU . 66.3 t-105 -55.2 -17.55 4.55 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.655 179.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.33 -19.8 68.32 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.715 -0.755 . . . . 0.0 113.198 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -83.72 126.21 32.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.878 0.371 . . . . 0.0 111.021 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.427 ' CD1' HG11 ' A' ' 66' ' ' VAL . 27.1 t80 -82.52 -40.31 21.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.042 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.01 -28.92 73.51 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.756 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.405 ' HB3' HD12 ' A' ' 19' ' ' LEU . 32.5 mmt180 -74.94 -50.2 17.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.89 0.376 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 12.5 ptp -59.23 -48.23 82.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.101 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -60.04 -36.08 76.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.839 0.352 . . . . 0.0 110.809 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -60.53 -42.44 96.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.509 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.502 ' HB2' HD13 ' A' ' 17' ' ' LEU . . . -77.49 -39.95 44.59 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.677 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.458 ' HB2' HD11 ' A' ' 17' ' ' LEU . 9.6 t80 -49.47 -46.74 48.44 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.864 0.364 . . . . 0.0 110.617 179.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -75.57 -30.21 59.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.814 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.13 -30.94 63.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.669 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.497 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 43.4 mm-40 -90.03 -19.46 24.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.092 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.5 p -69.61 -27.59 65.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.652 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.43 -30.04 59.9 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.336 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.8 pp -89.78 -18.74 25.74 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 121.093 -0.243 . . . . 0.0 110.97 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.1 mt -94.49 12.44 27.28 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.753 0.311 . . . . 0.0 110.691 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.527 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 12.4 t-80 -83.78 136.13 42.2 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.391 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.527 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 19.6 Cg_endo -58.9 -15.21 25.94 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.679 2.253 . . . . 0.0 112.942 -179.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -86.47 -21.66 26.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.645 0.26 . . . . 0.0 110.994 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -103.77 30.74 4.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.661 -179.861 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 62.96 47.6 87.46 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.564 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -115.98 168.23 12.63 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.415 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.07 141.39 28.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.798 0.332 . . . . 0.0 110.715 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.448 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 34.8 p80 -74.25 -38.8 63.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.817 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.04 -25.22 58.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.591 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.4 mp -79.78 -50.05 11.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.199 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.8 tpt -60.58 -44.63 96.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.222 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.448 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 2.3 pt20 -64.02 -25.1 67.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.075 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -79.84 -43.07 23.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.01 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.447 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 10.2 tp -56.43 -49.96 73.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.183 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -61.84 -31.8 72.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.871 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.4 t -80.17 -35.11 36.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.947 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.597 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 16.6 mt -83.74 -24.14 31.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.083 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.572 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 67.7 t-105 -89.99 -24.99 21.09 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.54 -61.76 3.49 Favored Glycine 0 C--N 1.335 0.476 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.17 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.734 HG22 ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -53.11 -47.07 68.91 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 178.883 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.734 ' N ' HG22 ' A' ' 61' ' ' THR . 2.2 t80 -48.84 -52.48 23.92 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 113.0 -1.909 . . . . 0.0 109.33 177.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.572 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -55.75 -37.77 68.95 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.315 -1.311 . . . . 0.0 111.156 179.675 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.2 m -47.2 -39.4 13.87 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.274 0.559 . . . . 0.0 109.654 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -85.54 -30.27 23.52 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.787 178.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.57 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 66.9 t -54.15 -41.33 50.67 Favored 'Isoleucine or valine' 0 C--O 1.231 0.117 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.084 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -64.06 -30.76 71.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.95 0.405 . . . . 0.0 110.544 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -90.62 -22.0 21.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.454 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.504 HD11 ' C ' ' A' ' 69' ' ' LEU . 0.6 OUTLIER -59.52 -32.54 70.4 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.585 0.231 . . . . 0.0 110.833 -179.483 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 56.1 mtp85 -72.48 0.81 9.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.951 0.405 . . . . 0.0 111.845 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 33.2 mtt -124.34 -62.34 1.27 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.558 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -71.29 137.88 48.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.23 -36.19 5.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.46 37.43 3.77 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.527 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -108.95 -103.92 2.87 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.574 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 71.4 p -90.08 14.93 11.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.485 0.183 . . . . 0.0 111.269 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.92 -61.3 4.33 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -82.08 151.83 26.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.82 0.343 . . . . 0.0 111.018 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.767 179.89 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.732 0.301 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -106.12 15.1 26.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.36 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 29.0 mtm180 -110.01 81.76 1.49 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.26 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.5 m -135.27 127.15 46.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.018 0.437 . . . . 0.0 111.37 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.753 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.6 pt? -83.6 148.77 26.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 p -90.08 -179.44 5.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.487 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 58.0 ttp85 -52.99 -35.62 59.47 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.656 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.82 -43.57 95.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.234 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.753 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 1.2 m-20 -69.56 -55.4 10.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.588 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.484 ' N ' HD13 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -54.04 -42.71 69.49 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.757 0.313 . . . . 0.0 110.657 -179.33 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.416 ' HG2' ' HD3' ' A' ' 10' ' ' LYS . 4.9 mm-40 -67.74 -28.22 67.45 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.458 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.61 -48.13 42.16 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.523 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.471 ' HB2' ' HB3' ' A' ' 58' ' ' LEU . 1.4 tp -58.44 -32.34 68.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.32 179.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 21' ' ' ARG . 13.5 mt -66.01 -42.27 89.9 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.154 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -58.58 -37.92 76.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.1 0.476 . . . . 0.0 110.605 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.451 ' N ' HD13 ' A' ' 16' ' ' LEU . 9.6 mp -81.98 -17.52 46.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.018 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.453 ' N ' HD22 ' A' ' 17' ' ' LEU . 1.1 mm? -90.21 -5.87 55.91 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? 55.31 19.77 3.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.446 0.641 . . . . 0.0 109.74 -178.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.434 HD21 HD23 ' A' ' 23' ' ' LEU . 4.4 tt -111.23 110.74 56.01 Favored Pre-proline 0 N--CA 1.45 -0.453 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.486 -179.422 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.474 ' O ' HD13 ' A' ' 23' ' ' LEU . 80.2 Cg_exo -45.95 167.74 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.836 2.357 . . . . 0.0 113.645 -178.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.48 ' HA ' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -90.22 -2.88 58.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.48 179.853 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -82.57 -29.59 30.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.788 0.328 . . . . 0.0 111.492 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.481 ' O ' ' CD2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -104.48 14.44 30.04 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.297 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.447 ' CH2' ' HB2' ' A' ' 10' ' ' LYS . 53.3 t-105 -52.94 97.96 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.192 179.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 157.13 -24.82 0.47 Allowed Glycine 0 C--N 1.332 0.321 0 C-N-CA 120.618 -0.801 . . . . 0.0 113.002 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -75.05 91.94 2.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.64 0.257 . . . . 0.0 111.203 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.531 ' CD1' HG11 ' A' ' 66' ' ' VAL . 29.2 t80 -51.58 -33.34 32.23 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.388 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.453 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -67.13 -35.82 89.36 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.62 -0.8 . . . . 0.0 113.0 -179.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -79.49 -46.02 18.23 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.687 0.255 . . . . 0.0 111.687 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.432 ' CG ' ' HA ' ' A' ' 27' ' ' PHE . 18.2 ptp -60.37 -47.19 87.12 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.339 -179.497 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -64.71 -35.08 79.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.757 0.313 . . . . 0.0 110.36 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.453 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -65.56 -41.74 92.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.123 0.487 . . . . 0.0 110.046 179.152 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.02 -41.49 64.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.604 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.459 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 9.0 t80 -49.43 -43.65 44.87 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.783 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.0 -36.05 61.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -66.2 -35.17 79.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.717 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 27.7 mm100 -89.11 -20.7 23.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.164 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.07 -31.47 69.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.578 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.44 HD22 ' HE3' ' A' ' 45' ' ' LYS . 5.3 mt -70.73 -39.82 73.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.936 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 pp -84.56 -11.98 55.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.302 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.7 mt -93.42 -3.94 52.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.211 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.467 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 9.3 t-80 -82.84 130.37 58.2 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.723 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.467 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 86.1 Cg_exo -45.38 -28.6 4.01 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.926 2.417 . . . . 0.0 113.381 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.15 -11.02 60.18 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.239 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.447 ' HE2' ' HB3' ' A' ' 42' ' ' HIS . 0.1 OUTLIER -119.67 31.36 6.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.798 0.332 . . . . 0.0 110.867 -179.798 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.33 57.02 11.09 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.49 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -133.2 173.12 21.2 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.44 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.22 151.02 21.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.919 0.39 . . . . 0.0 111.035 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 63.8 t60 -83.13 -26.7 30.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.071 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.1 -26.64 53.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.457 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.14 -49.13 15.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.873 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -46.79 85.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.015 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -33.52 76.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.823 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -69.19 -35.76 76.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.611 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.459 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 13.2 tp -58.68 -51.11 71.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.325 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -61.59 -35.82 78.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.178 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.2 p -73.55 -37.37 65.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.042 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.61 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 13.3 mt -81.15 -26.16 36.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.215 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.568 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 62.0 t-105 -90.05 -26.4 20.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.974 0.416 . . . . 0.0 110.021 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.47 -67.35 1.98 Allowed Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.044 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.717 HG22 HD23 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -49.9 -50.1 47.25 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 179.068 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.54 ' N ' ' CG2' ' A' ' 61' ' ' THR . 3.8 t80 -45.6 -50.85 12.85 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 113.6 -1.636 . . . . 0.0 109.203 177.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.568 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -56.33 -35.65 67.84 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 114.019 -1.446 . . . . 0.0 110.884 179.398 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.8 m -48.06 -39.46 20.1 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 121.338 0.59 . . . . 0.0 109.546 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -84.96 -30.95 23.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.706 178.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.555 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 77.5 t -54.59 -40.77 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.179 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -64.73 -29.68 70.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.567 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -90.8 -23.32 20.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.499 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.429 ' CD2' ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -58.75 -38.69 78.98 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.895 0.379 . . . . 0.0 110.632 -179.576 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.5 mtp85 -82.74 1.23 39.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.111 0.481 . . . . 0.0 111.505 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 14.9 mtt -109.26 -30.39 8.03 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.84 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -93.13 -71.9 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.061 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 24.7 tp -94.78 -70.8 0.69 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 122.9 -131.4 8.22 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.64 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -111.98 57.65 0.42 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.644 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.7 p -117.41 -37.15 3.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.771 0.32 . . . . 0.0 110.955 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 61.88 25.4 65.83 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.564 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -86.84 128.09 35.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.741 0.305 . . . . 0.0 110.892 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.879 179.769 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 120.759 0.314 . . . . 0.0 111.283 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -79.32 112.45 16.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.788 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -138.59 67.63 1.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.446 ' O ' HG21 ' A' ' 4' ' ' VAL . 20.1 m -137.91 126.72 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.065 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.65 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.5 OUTLIER -85.17 140.77 30.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.75 179.835 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.6 p -88.9 -167.17 1.8 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.12 -179.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.533 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 14.5 mtt-85 -60.62 -37.9 82.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.204 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.22 -52.54 33.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.312 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.65 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 33.5 m-20 -59.48 -49.78 76.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.848 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -60.91 -34.64 74.98 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.362 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.533 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -65.54 -37.87 87.98 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.62 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -64.56 -33.72 76.57 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.152 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.414 HD22 ' CD2' ' A' ' 62' ' ' PHE . 3.3 tp -61.6 -43.38 98.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.332 179.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.407 ' CD2' HD21 ' A' ' 19' ' ' LEU . 15.3 mt -64.19 -40.67 96.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.81 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -55.63 -32.84 63.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.936 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -84.94 -20.53 30.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.861 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.452 ' HA ' ' HG2' ' A' ' 37' ' ' GLN . 8.8 mp -85.51 -5.32 59.3 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.799 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 53.12 19.98 1.62 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.19 0.519 . . . . 0.0 110.321 -179.04 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.734 ' HG ' HD11 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -111.01 124.95 31.62 Favored Pre-proline 0 N--CA 1.448 -0.558 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.782 -179.15 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.498 ' O ' HD13 ' A' ' 23' ' ' LEU . 71.2 Cg_exo -45.48 164.43 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.756 2.304 . . . . 0.0 113.698 -178.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.4 ptt85 -90.68 -15.52 30.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.973 179.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -65.34 -36.22 83.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.77 -179.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.734 HD11 ' HG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -90.81 4.59 51.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.735 -179.435 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.456 ' CH2' ' CZ ' ' A' ' 62' ' ' PHE . 62.9 t-105 -51.59 100.69 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.419 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 153.94 -36.37 0.72 Allowed Glycine 0 C--N 1.332 0.354 0 C-N-CA 120.523 -0.846 . . . . 0.0 113.281 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.439 ' O ' ' HG2' ' A' ' 30' ' ' MET . 5.4 t70 -83.75 96.16 8.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.728 0.264 . . . . 0.0 111.615 -179.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.513 ' HA ' ' CG ' ' A' ' 30' ' ' MET . 3.0 t80 -42.71 -44.61 4.4 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.639 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.82 -41.73 91.3 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.913 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.3 mtm-85 -77.91 -51.71 10.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.692 0.282 . . . . 0.0 111.309 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.513 ' CG ' ' HA ' ' A' ' 27' ' ' PHE . 13.9 ptp -59.23 -40.96 87.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.93 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -67.68 -32.81 73.73 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.916 0.389 . . . . 0.0 110.208 179.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -34.34 71.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.004 179.122 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.432 ' CB ' ' HB2' ' A' ' 19' ' ' LEU . . . -78.43 -46.4 19.9 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.526 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.43 ' CE2' ' CB ' ' A' ' 59' ' ' TRP . 4.8 t80 -54.59 -47.9 72.78 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.341 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -61.44 -40.97 96.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.731 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -76.42 -23.22 53.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.02 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.522 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 1.4 mp0 -89.78 -22.86 21.93 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.904 0.383 . . . . 0.0 110.837 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 83.0 p -71.35 -29.18 64.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.877 0.37 . . . . 0.0 110.247 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.98 -32.57 74.13 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.093 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.8 pp -89.32 -16.86 30.1 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.703 0.287 . . . . 0.0 111.006 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.5 mt -94.33 0.93 55.88 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 120.87 0.367 . . . . 0.0 110.958 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.528 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 19.1 t-80 -88.48 142.43 31.2 Favored Pre-proline 0 CA--C 1.532 0.269 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.225 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.528 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 30.8 Cg_endo -64.94 -5.87 11.6 Favored 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 122.702 2.268 . . . . 0.0 113.638 -179.088 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -88.95 -21.58 23.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.767 0.318 . . . . 0.0 110.866 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -109.58 29.36 7.65 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.651 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.66 41.43 64.69 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.492 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -115.79 163.51 12.31 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.554 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.12 146.3 24.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.85 0.357 . . . . 0.0 110.999 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.409 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -78.62 -21.65 48.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.214 -179.469 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.423 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -74.32 -27.15 60.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.859 0.361 . . . . 0.0 111.12 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.9 mp -78.34 -51.22 10.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.933 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -40.29 71.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.342 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 54' ' ' GLU . 10.1 pt20 -74.23 -36.13 63.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.232 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -62.84 -50.75 69.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.909 0.385 . . . . 0.0 110.889 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.43 HD23 ' CE2' ' A' ' 34' ' ' TYR . 17.3 tp -62.57 -37.83 87.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.942 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.93 -37.28 79.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.774 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.11 -30.2 68.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.831 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.486 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 0.9 OUTLIER -86.01 -26.63 25.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.026 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.584 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 69.9 t-105 -90.13 -19.15 24.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.278 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.13 -62.66 2.56 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.918 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.579 ' CG2' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -54.46 -49.82 69.17 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 178.919 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.53 ' N ' ' CG2' ' A' ' 61' ' ' THR . 6.5 t80 -44.41 -54.26 6.06 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 113.497 -1.683 . . . . 0.0 109.111 177.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.584 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 1.4 ttmt -54.37 -44.66 72.41 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.311 -1.313 . . . . 0.0 110.745 178.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.417 ' HB ' ' O ' ' A' ' 61' ' ' THR . 87.3 m -49.91 -35.28 23.2 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 178.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -85.37 -30.12 23.89 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.694 178.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.549 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 58.1 t -55.71 -41.3 64.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.274 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -65.5 -40.1 92.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.258 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 27.8 p30 -87.35 -11.67 48.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.676 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.461 ' CD2' ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -60.58 -38.29 84.14 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.923 0.392 . . . . 0.0 110.516 179.791 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 42.4 mtt85 -81.1 1.23 32.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.755 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.35 -39.95 3.74 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.815 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 -61.11 136.38 58.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.11 -66.75 1.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -130.63 -50.74 0.11 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.74 55.38 0.74 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.527 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.2 m -85.47 106.19 16.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.758 0.313 . . . . 0.0 110.857 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 136.19 -71.25 0.48 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.481 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -75.74 144.2 41.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.761 0.315 . . . . 0.0 110.916 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.795 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 120.759 0.314 . . . . 0.0 111.283 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -79.32 112.45 16.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.788 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -138.59 67.63 1.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.446 ' O ' HG21 ' A' ' 4' ' ' VAL . 20.1 m -137.91 126.72 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.065 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.65 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.5 OUTLIER -85.17 140.77 30.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.75 179.835 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.6 p -88.9 -167.17 1.8 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.12 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.533 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 14.5 mtt-85 -60.62 -37.9 82.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.204 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.22 -52.54 33.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.312 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.65 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 33.5 m-20 -59.48 -49.78 76.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.848 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -60.91 -34.64 74.98 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.362 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.533 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -65.54 -37.87 87.98 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.62 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -64.56 -33.72 76.57 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.152 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.414 HD22 ' CD2' ' A' ' 62' ' ' PHE . 3.3 tp -61.6 -43.38 98.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.332 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.407 ' CD2' HD21 ' A' ' 19' ' ' LEU . 15.3 mt -64.19 -40.67 96.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.81 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -55.63 -32.84 63.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.936 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -84.94 -20.53 30.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.861 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.452 ' HA ' ' HG2' ' A' ' 37' ' ' GLN . 8.8 mp -85.51 -5.32 59.3 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.799 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 53.12 19.98 1.62 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.19 0.519 . . . . 0.0 110.321 -179.04 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.734 ' HG ' HD11 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -111.01 124.95 31.62 Favored Pre-proline 0 N--CA 1.448 -0.558 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.782 -179.15 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.498 ' O ' HD13 ' A' ' 23' ' ' LEU . 71.2 Cg_exo -45.48 164.43 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.756 2.304 . . . . 0.0 113.698 -178.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.4 ptt85 -90.68 -15.52 30.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.973 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -65.34 -36.22 83.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.77 -179.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.734 HD11 ' HG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -90.81 4.59 51.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.735 -179.435 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.456 ' CH2' ' CZ ' ' A' ' 62' ' ' PHE . 62.9 t-105 -51.59 100.69 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.419 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 153.94 -36.37 0.72 Allowed Glycine 0 C--N 1.332 0.354 0 C-N-CA 120.523 -0.846 . . . . 0.0 113.281 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.439 ' O ' ' HG2' ' A' ' 30' ' ' MET . 5.4 t70 -83.75 96.16 8.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.728 0.264 . . . . 0.0 111.615 -179.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.513 ' HA ' ' CG ' ' A' ' 30' ' ' MET . 3.0 t80 -42.71 -44.61 4.4 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.639 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.82 -41.73 91.3 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.913 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.3 mtm-85 -77.91 -51.71 10.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.692 0.282 . . . . 0.0 111.309 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.513 ' CG ' ' HA ' ' A' ' 27' ' ' PHE . 13.9 ptp -59.23 -40.96 87.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.93 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -67.68 -32.81 73.73 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.916 0.389 . . . . 0.0 110.208 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -34.34 71.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.004 179.122 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.432 ' CB ' ' HB2' ' A' ' 19' ' ' LEU . . . -78.43 -46.4 19.9 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.526 179.345 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.43 ' CE2' ' CB ' ' A' ' 59' ' ' TRP . 4.8 t80 -54.59 -47.9 72.78 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.341 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -61.44 -40.97 96.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.731 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -76.42 -23.22 53.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.02 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.522 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 1.4 mp0 -89.78 -22.86 21.93 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.904 0.383 . . . . 0.0 110.837 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 83.0 p -71.35 -29.18 64.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.877 0.37 . . . . 0.0 110.247 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.98 -32.57 74.13 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.093 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.8 pp -89.32 -16.86 30.1 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.703 0.287 . . . . 0.0 111.006 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.5 mt -94.33 0.93 55.88 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 120.87 0.367 . . . . 0.0 110.958 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.528 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 19.1 t-80 -88.48 142.43 31.2 Favored Pre-proline 0 CA--C 1.532 0.269 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.225 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.528 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 30.8 Cg_endo -64.94 -5.87 11.6 Favored 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 122.702 2.268 . . . . 0.0 113.638 -179.088 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -88.95 -21.58 23.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.767 0.318 . . . . 0.0 110.866 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -109.58 29.36 7.65 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.651 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.66 41.43 64.69 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.492 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -115.79 163.51 12.31 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.554 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.12 146.3 24.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.85 0.357 . . . . 0.0 110.999 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.409 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -78.62 -21.65 48.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.214 -179.469 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.423 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -74.32 -27.15 60.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.859 0.361 . . . . 0.0 111.12 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.9 mp -78.34 -51.22 10.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.933 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -40.29 71.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.342 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 54' ' ' GLU . 10.1 pt20 -74.23 -36.13 63.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.232 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -62.84 -50.75 69.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.909 0.385 . . . . 0.0 110.889 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.43 HD23 ' CE2' ' A' ' 34' ' ' TYR . 17.3 tp -62.57 -37.83 87.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.942 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.93 -37.28 79.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.774 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.11 -30.2 68.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.831 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.486 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 0.9 OUTLIER -86.01 -26.63 25.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.026 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.584 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 69.9 t-105 -90.13 -19.15 24.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.278 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.13 -62.66 2.56 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.918 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.579 ' CG2' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -54.46 -49.82 69.17 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 178.919 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.53 ' N ' ' CG2' ' A' ' 61' ' ' THR . 6.5 t80 -44.41 -54.26 6.06 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 113.497 -1.683 . . . . 0.0 109.111 177.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.584 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 1.4 ttmt -54.37 -44.66 72.41 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.311 -1.313 . . . . 0.0 110.745 178.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.417 ' HB ' ' O ' ' A' ' 61' ' ' THR . 87.3 m -49.91 -35.28 23.2 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 178.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -85.37 -30.12 23.89 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.694 178.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.549 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 58.1 t -55.71 -41.3 64.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.274 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -65.5 -40.1 92.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.258 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 27.8 p30 -87.35 -11.67 48.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.676 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.461 ' CD2' ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -60.58 -38.29 84.14 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.923 0.392 . . . . 0.0 110.516 179.791 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 42.4 mtt85 -81.1 1.23 32.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.755 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.35 -39.95 3.74 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.815 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 -61.11 136.38 58.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.11 -66.75 1.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -130.63 -50.74 0.11 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.74 55.38 0.74 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.527 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.2 m -85.47 106.19 16.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.758 0.313 . . . . 0.0 110.857 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 136.19 -71.25 0.48 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.481 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -75.74 144.2 41.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.761 0.315 . . . . 0.0 110.916 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.795 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 120.577 0.227 . . . . 0.0 110.76 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -62.5 123.18 17.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.801 0.334 . . . . 0.0 110.475 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.2 mmt85 -129.32 74.56 1.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.277 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.416 ' O ' HG21 ' A' ' 4' ' ' VAL . 29.3 m -119.24 133.36 66.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.057 0.456 . . . . 0.0 110.883 179.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.819 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.1 pt? -90.05 147.23 23.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.125 -179.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.3 p -90.11 -172.79 3.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.598 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.412 ' HG2' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -59.28 -31.27 68.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.151 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.412 ' N ' ' HG2' ' A' ' 7' ' ' ARG . . . -71.5 -37.76 71.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.273 -179.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.819 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 92.8 m-20 -66.63 -59.35 3.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.187 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.524 ' N ' HD13 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -59.55 -38.4 80.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.913 0.387 . . . . 0.0 110.256 -179.896 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -64.02 -40.82 97.18 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.976 178.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -39.25 80.35 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.363 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.448 ' HB2' ' HB3' ' A' ' 58' ' ' LEU . 2.9 tp -63.16 -33.47 75.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.297 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.7 mt -69.31 -38.84 78.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.067 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -55.59 -46.44 77.28 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.004 0.431 . . . . 0.0 110.542 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.482 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 5.0 mt -76.12 -15.96 59.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.929 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.423 HD12 ' HB2' ' A' ' 34' ' ' TYR . 2.0 mm? -90.36 -9.55 47.27 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.39 20.25 1.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.319 0.581 . . . . 0.0 110.001 -178.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.49 ' CD1' HD21 ' A' ' 23' ' ' LEU . 3.3 tt -110.49 110.61 57.75 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.947 -179.067 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.503 ' O ' HD12 ' A' ' 23' ' ' LEU . 88.8 Cg_exo -46.38 167.05 0.07 OUTLIER 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.689 2.259 . . . . 0.0 113.313 -178.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.97 -3.34 58.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.101 179.393 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -78.1 -33.28 50.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.036 0.446 . . . . 0.0 110.995 -179.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.503 HD12 ' O ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -102.69 11.7 37.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.267 179.903 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.466 ' CH2' ' HB2' ' A' ' 10' ' ' LYS . 43.9 t-105 -55.68 92.5 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.085 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 167.25 -31.73 0.19 Allowed Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.524 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -73.76 94.91 2.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.697 0.284 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.493 ' HA ' ' HG2' ' A' ' 30' ' ' MET . 71.1 t80 -52.56 -31.43 35.85 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.536 -179.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.15 -38.23 82.72 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.774 -0.727 . . . . 0.0 113.275 -179.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 60.1 mtt-85 -80.3 -37.17 33.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.745 0.272 . . . . 0.0 111.718 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.493 ' HG2' ' HA ' ' A' ' 27' ' ' PHE . 10.3 ptp -65.11 -47.61 76.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.584 0.231 . . . . 0.0 110.814 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.416 ' N ' ' HG3' ' A' ' 30' ' ' MET . 24.1 tt0 -63.13 -38.35 90.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.896 0.379 . . . . 0.0 110.734 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -58.98 -31.91 69.18 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.378 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.41 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -82.6 -40.28 21.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.836 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.446 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 12.6 t80 -57.07 -48.83 77.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.605 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 35.2 mtpt -64.86 -40.56 95.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.817 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -60.52 -48.46 81.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.747 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.482 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 28.9 mm100 -79.78 -18.14 51.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.142 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.1 -29.99 68.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.994 0.426 . . . . 0.0 110.0 179.12 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.35 -41.39 80.76 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.752 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -79.64 -10.56 59.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.124 179.835 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.447 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 7.5 mt -95.31 -1.71 50.78 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 120.651 0.263 . . . . 0.0 111.355 179.46 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.557 ' HD2' ' HB2' ' A' ' 44' ' ' ASP . 20.5 t60 -79.91 142.21 55.97 Favored Pre-proline 0 CA--C 1.53 0.195 0 CA-C-N 116.543 -0.298 . . . . 0.0 110.507 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 18.2 Cg_endo -61.95 -12.36 25.63 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.753 2.302 . . . . 0.0 113.932 -178.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.557 ' HB2' ' HD2' ' A' ' 42' ' ' HIS . 1.3 m-20 -88.46 -23.07 23.36 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.992 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -103.71 27.65 7.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.771 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 75.66 26.73 64.51 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.654 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -89.32 160.43 29.35 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.375 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.04 156.25 18.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.747 0.308 . . . . 0.0 110.862 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.414 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 12.2 m170 -83.12 -40.67 19.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.959 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.95 -28.56 67.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.242 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.447 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 7.5 mt -75.05 -51.51 13.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.057 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.498 ' O ' ' HB2' ' A' ' 56' ' ' ASN . 8.3 tpt -50.77 -27.69 7.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.376 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 4.2 mm-40 -83.03 -36.53 24.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.799 0.333 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -58.93 -54.81 42.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.067 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.446 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 16.1 tp -65.8 -38.9 90.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.182 -179.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.498 ' HB2' ' O ' ' A' ' 52' ' ' MET . 1.9 t-20 -63.6 -44.88 92.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.911 0.386 . . . . 0.0 110.812 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.84 -27.64 66.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.739 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.555 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 10.9 mt -80.82 -28.48 36.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.087 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.518 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 69.5 t-105 -87.03 -24.24 24.7 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.417 ' HA2' ' NZ ' ' A' ' 63' ' ' LYS . . . -69.91 -64.85 2.75 Favored Glycine 0 C--N 1.334 0.437 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.287 179.162 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.778 HG22 ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -52.18 -46.58 65.59 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 179.169 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.778 ' N ' HG22 ' A' ' 61' ' ' THR . 2.7 t80 -49.88 -51.98 36.34 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 113.195 -1.821 . . . . 0.0 109.4 177.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.58 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 0.3 OUTLIER -52.08 -41.01 62.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.3 -1.318 . . . . 0.0 110.988 179.636 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 61' ' ' THR . 85.6 m -50.45 -37.71 39.67 Favored 'General case' 0 CA--C 1.522 -0.126 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -84.08 -31.27 25.41 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.391 178.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.58 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 53.9 t -52.63 -48.89 47.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.573 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -53.82 -27.04 27.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.964 0.411 . . . . 0.0 110.258 179.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -90.96 -26.86 19.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.189 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.513 ' CD2' ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -72.81 -10.38 59.74 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.436 -179.698 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 66' ' ' VAL . 5.4 mmt85 -68.51 0.91 3.5 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.941 0.401 . . . . 0.0 112.02 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.3 mtt -111.87 -47.72 3.12 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.817 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -77.41 139.28 39.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.988 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.08 23.73 7.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.992 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 143.72 168.76 12.4 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.474 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -157.78 -141.29 3.12 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.726 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.1 m -68.11 151.19 47.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 111.136 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -134.9 -57.56 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.424 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.43 147.7 41.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.841 0.353 . . . . 0.0 110.753 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.108 -179.882 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 120.764 0.316 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.43 163.46 2.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.517 179.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.488 ' HB3' ' OG1' ' A' ' 61' ' ' THR . 0.1 OUTLIER -145.65 90.85 2.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.867 0.365 . . . . 0.0 111.155 -179.623 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.425 ' O ' HG23 ' A' ' 4' ' ' VAL . 24.9 m -125.97 127.82 71.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.171 179.627 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.812 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.1 pt? -90.24 144.31 25.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.113 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.0 p -89.33 -174.66 4.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.071 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -56.94 -36.75 70.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.182 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.0 -37.81 88.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.812 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 26.0 m-20 -69.15 -58.1 4.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.486 ' N ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -57.92 -39.74 78.71 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.764 0.316 . . . . 0.0 110.574 -179.656 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.427 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 2.0 mm-40 -61.55 -42.22 98.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.383 179.349 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -70.37 -29.08 65.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.252 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.1 tp -69.7 -34.01 73.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.073 179.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.401 ' CD2' HD21 ' A' ' 19' ' ' LEU . 15.4 mt -74.78 -41.4 60.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.828 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -56.14 -37.64 69.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.692 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.429 ' N ' HD21 ' A' ' 16' ' ' LEU . 3.4 mm? -85.63 -19.27 31.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.527 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.457 HD13 ' N ' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -88.03 -8.04 56.16 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.711 -179.63 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.8 mptt 54.15 19.7 2.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.245 0.545 . . . . 0.0 110.07 -178.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.486 ' CD1' HD21 ' A' ' 23' ' ' LEU . 3.4 tt -108.96 108.83 60.91 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.879 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.48 ' O ' HD12 ' A' ' 23' ' ' LEU . 77.6 Cg_exo -49.43 169.69 0.11 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.692 2.261 . . . . 0.0 113.188 -178.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -89.64 -3.38 58.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.858 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -76.31 -32.03 58.49 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.486 HD21 ' CD1' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -107.83 14.64 25.25 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.107 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.483 ' CH2' ' HB2' ' A' ' 10' ' ' LYS . 46.6 t-105 -57.6 97.75 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.013 179.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 159.03 -26.01 0.36 Allowed Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.51 -0.853 . . . . 0.0 112.985 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -79.57 100.63 7.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.731 0.3 . . . . 0.0 111.03 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.468 ' CD1' HG13 ' A' ' 66' ' ' VAL . 28.4 t80 -52.98 -42.96 66.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.619 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.15 -32.31 71.22 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.849 -0.691 . . . . 0.0 113.268 -179.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.4 mtt180 -83.06 -47.03 12.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.776 0.288 . . . . 0.0 111.724 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.416 ' CG ' ' HA ' ' A' ' 27' ' ' PHE . 13.4 ptp -58.96 -40.35 84.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.626 0.251 . . . . 0.0 110.886 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -71.27 -36.41 71.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.795 0.331 . . . . 0.0 110.325 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -63.36 -34.4 77.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.246 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.19 -39.62 25.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.685 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.457 ' N ' HD13 ' A' ' 17' ' ' LEU . 13.6 t80 -53.73 -44.3 69.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.527 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -72.32 -38.45 68.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.398 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -37.6 81.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.709 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 -88.8 -20.27 24.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.6 m -68.0 -29.52 68.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.708 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.1 mt -72.32 -33.68 67.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.983 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.9 pp -85.44 -17.04 37.75 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.958 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 32.8 mt -95.18 -4.23 46.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.252 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -79.39 123.72 84.36 Favored Pre-proline 0 N--CA 1.455 -0.187 0 CA-C-O 120.746 0.307 . . . . 0.0 110.448 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo -43.74 -27.6 1.61 Allowed 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.972 2.448 . . . . 0.0 113.551 -179.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.99 -12.18 60.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.627 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt -118.43 28.86 8.08 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.805 0.336 . . . . 0.0 110.866 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.85 16.58 79.3 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.809 -0.71 . . . . 0.0 113.01 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -87.11 163.29 34.41 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.385 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.58 152.79 21.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.904 0.383 . . . . 0.0 110.744 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -78.97 -41.96 27.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.821 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.02 -34.61 70.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.571 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.0 mp -71.87 -53.25 13.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.925 0.393 . . . . 0.0 111.04 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 10.4 tpt -56.3 -45.74 80.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.415 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -67.31 -26.85 66.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.71 0.291 . . . . 0.0 111.216 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.91 -54.48 21.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.369 . . . . 0.0 110.75 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.3 tp -56.7 -40.2 75.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.991 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -58.09 -33.04 68.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.798 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.69 -31.32 41.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.788 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.595 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 14.6 mt -80.89 -29.67 35.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.779 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.591 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 70.3 t-105 -88.8 -20.88 24.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.01 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.15 -64.12 2.62 Favored Glycine 0 C--N 1.335 0.479 0 C-N-CA 121.041 -0.599 . . . . 0.0 111.892 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.675 HG22 HD21 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -53.39 -50.9 64.16 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 179.001 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.536 ' N ' HG22 ' A' ' 61' ' ' THR . 4.7 t80 -45.32 -49.62 12.66 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 113.407 -1.724 . . . . 0.0 109.738 177.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.591 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 1.9 ttmt -55.2 -36.03 65.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.363 -1.29 . . . . 0.0 111.066 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 41.0 m -47.45 -39.4 15.66 Favored 'General case' 0 CA--C 1.522 -0.107 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -85.25 -30.63 23.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.955 178.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.585 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 69.1 t -55.49 -41.82 65.08 Favored 'Isoleucine or valine' 0 C--O 1.23 0.066 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.151 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -63.34 -30.51 71.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.438 179.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -90.76 -21.76 21.38 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.485 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.426 ' CD2' ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -59.36 -29.94 68.04 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.845 0.355 . . . . 0.0 110.858 -179.525 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.8 mtm105 -76.8 0.68 19.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.009 0.433 . . . . 0.0 111.677 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 30.3 mmt -115.98 -17.49 10.92 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.213 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -76.18 56.32 1.02 Allowed 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.854 0.359 . . . . 0.0 111.007 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 43.5 mt -93.06 87.98 5.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.788 0.327 . . . . 0.0 110.907 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -68.05 101.71 0.77 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.435 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 179.64 72.62 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.573 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 29.8 p -68.5 129.74 40.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.766 0.317 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.66 -87.54 0.53 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.457 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -92.18 116.23 28.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.717 0.294 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.755 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.1 mtm . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 120.878 0.37 . . . . 0.0 111.258 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -78.67 125.71 29.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 -137.91 82.7 1.93 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.742 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.4 m -133.06 126.51 53.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.217 0.532 . . . . 0.0 111.418 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.797 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.6 pt? -87.8 150.66 23.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.861 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.6 p -90.18 -174.67 4.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.22 -179.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.431 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -57.46 -33.95 68.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.955 179.862 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.23 -46.81 72.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.526 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.797 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 50.1 m-20 -58.12 -59.38 5.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.015 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.569 ' N ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -52.2 -39.85 60.72 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.09 0.472 . . . . 0.0 110.112 179.813 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 2.3 mt-10 -65.13 -38.95 92.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.579 178.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -70.76 -31.21 67.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.6 179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.6 tp -72.98 -31.26 64.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.531 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.458 HD21 ' O ' ' A' ' 19' ' ' LEU . 11.7 mt -74.79 -41.33 60.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.299 -179.726 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -61.7 -38.85 89.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.401 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 1.3 mt -82.02 -18.6 42.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.276 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.46 HD13 ' N ' ' A' ' 34' ' ' TYR . 1.9 mm? -88.9 -5.3 58.09 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.0 18.52 2.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.232 0.539 . . . . 0.0 110.253 -178.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.526 ' HG ' ' CG ' ' A' ' 23' ' ' LEU . 1.8 tt -106.11 110.79 64.3 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.285 -179.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.566 ' N ' HD21 ' A' ' 23' ' ' LEU . 46.1 Cg_exo -46.7 -176.4 0.0 OUTLIER 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.987 2.458 . . . . 0.0 112.892 -179.68 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -90.5 -35.02 15.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.996 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -51.91 -33.97 39.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.585 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.566 HD21 ' N ' ' A' ' 20' ' ' PRO . 1.4 pt? -102.19 12.94 35.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.194 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 46.7 t-105 -53.65 92.63 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.786 0.327 . . . . 0.0 110.773 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 144.91 -23.93 1.94 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.43 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.42 ' O ' ' HG2' ' A' ' 30' ' ' MET . 27.0 t0 -57.28 97.51 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.691 0.282 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.416 ' HA ' ' SD ' ' A' ' 30' ' ' MET . 15.9 t80 -56.11 -46.56 79.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.741 -179.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.31 -38.68 96.82 Favored Glycine 0 CA--C 1.52 0.372 0 C-N-CA 120.826 -0.702 . . . . 0.0 113.324 -179.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.17 -38.76 26.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.89 0.345 . . . . 0.0 111.919 -179.162 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.42 ' HG2' ' O ' ' A' ' 26' ' ' ASP . 7.0 ptp -64.73 -47.28 78.84 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 121.044 -0.263 . . . . 0.0 111.02 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -62.27 -42.37 99.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.766 0.317 . . . . 0.0 110.395 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.9 -38.43 75.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.051 0.453 . . . . 0.0 110.159 179.329 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.51 -44.61 50.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.138 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.476 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 7.8 t80 -55.38 -45.72 76.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.297 179.351 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -65.15 -28.64 69.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.877 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -46.59 44.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.234 -179.713 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.421 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 4.7 mm-40 -82.04 -21.58 36.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.543 -179.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 91.9 p -73.6 -29.46 62.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.884 0.373 . . . . 0.0 110.762 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.2 mt -74.09 -36.14 64.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.066 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.421 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 3.7 pp -84.87 -14.95 46.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.11 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.1 mt -94.49 13.92 22.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.748 0.308 . . . . 0.0 110.964 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.416 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 18.0 t-80 -90.03 137.71 27.93 Favored Pre-proline 0 N--CA 1.454 -0.256 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.927 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -47.81 -24.76 5.24 Favored 'Trans proline' 0 CA--C 1.529 0.242 0 C-N-CA 122.829 2.353 . . . . 0.0 112.778 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -88.0 -25.02 23.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.64 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.416 ' HD3' ' HB3' ' A' ' 42' ' ' HIS . 1.7 mptp? -103.76 31.16 4.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.803 0.335 . . . . 0.0 111.078 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.8 46.72 65.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.467 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -116.1 159.08 14.05 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.486 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.22 161.22 15.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.864 0.364 . . . . 0.0 110.889 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -83.03 -48.66 10.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.768 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.96 -26.67 64.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.189 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.44 -52.74 6.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.025 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 8.0 tpt -51.19 -43.57 61.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.907 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.66 -33.51 72.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.532 179.667 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -64.45 -50.84 65.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.553 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.476 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 11.7 tp -66.56 -38.2 86.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.523 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -64.4 -50.16 68.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.008 0.432 . . . . 0.0 110.514 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 m -67.57 -27.15 66.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.686 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.612 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 14.1 mt -78.5 -26.91 46.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.51 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 66.5 t-105 -90.4 -27.42 19.33 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.0 -61.53 3.71 Favored Glycine 0 C--N 1.335 0.483 0 C-N-CA 120.977 -0.63 . . . . 0.0 111.771 179.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.643 HG22 HD21 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -51.43 -50.5 59.59 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 178.721 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.561 ' N ' ' CG2' ' A' ' 61' ' ' THR . 1.3 t80 -45.65 -53.07 9.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 113.245 -1.798 . . . . 0.0 109.066 177.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.566 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -57.31 -38.61 74.3 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 113.921 -1.49 . . . . 0.0 110.961 179.468 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.96 -36.4 27.93 Favored 'General case' 0 CA--C 1.522 -0.123 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 178.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 69' ' ' LEU . 2.2 mm-40 -85.39 -29.27 24.56 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.373 178.268 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.566 ' HB ' ' HA ' ' A' ' 63' ' ' LYS . 54.0 t -58.17 -54.78 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.86 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -55.45 -30.6 60.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.698 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -90.61 -20.95 21.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.588 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.455 ' CD2' ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -60.83 -30.89 70.37 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.818 0.342 . . . . 0.0 110.729 -179.42 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -82.78 1.2 40.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.77 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.7 mmt -121.42 -52.76 2.03 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.862 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -61.32 132.15 52.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.743 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -142.0 -52.01 0.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.954 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.58 35.61 0.68 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.399 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 149.06 -92.79 0.15 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.593 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.6 p -89.62 127.63 35.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.744 0.307 . . . . 0.0 111.061 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -103.44 -42.8 1.96 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.57 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -81.19 140.81 34.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.797 0.332 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.145 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.5 mtt . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 120.801 0.334 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.5 117.25 7.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.763 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.8 mmt180 -131.82 67.93 1.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.538 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 4' ' ' VAL . 19.8 m -138.05 119.68 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.368 0.604 . . . . 0.0 111.021 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.767 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER -82.1 145.06 30.36 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.602 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.9 p -90.05 -174.96 4.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.866 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.7 ttm-85 -60.43 -28.93 68.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.82 -27.33 57.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.677 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.767 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 5.1 m-20 -88.87 -47.98 7.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.749 -0.205 . . . . 0.0 111.257 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 11' ' ' GLU . 0.6 OUTLIER -59.35 -34.74 72.75 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.939 0.399 . . . . 0.0 110.294 179.71 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.431 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 19.5 pt-20 -69.65 -32.82 71.71 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.0 ttt85 -63.37 -31.81 73.06 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.828 178.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.437 HD22 ' CD2' ' A' ' 62' ' ' PHE . 1.7 tp -69.85 -32.9 71.53 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.734 178.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.444 ' CD2' HD22 ' A' ' 19' ' ' LEU . 12.4 mt -67.56 -43.87 79.61 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.823 179.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -54.49 -54.07 45.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.758 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.452 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 7.3 mp -68.52 -16.68 63.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.911 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.439 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.9 OUTLIER -90.14 -2.73 58.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.987 -179.452 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 48.98 21.25 0.44 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.285 0.564 . . . . 0.0 110.055 -178.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.645 HD12 HD22 ' A' ' 23' ' ' LEU . 5.1 tt -111.82 110.05 54.86 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.605 -179.084 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.534 ' O ' HD12 ' A' ' 23' ' ' LEU . 79.8 Cg_exo -48.37 167.4 0.11 Allowed 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.519 2.146 . . . . 0.0 113.261 -178.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.28 -6.37 56.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.973 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -74.16 -34.51 63.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.128 0.489 . . . . 0.0 110.897 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.645 HD22 HD12 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -101.93 12.96 36.1 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.562 -179.77 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.406 ' CZ3' ' HG ' ' A' ' 14' ' ' LEU . 57.1 t-105 -52.08 109.6 0.39 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.478 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 143.31 -21.19 2.25 Favored Glycine 0 C--N 1.334 0.467 0 C-N-CA 120.873 -0.68 . . . . 0.0 113.254 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.493 ' O ' ' HG2' ' A' ' 30' ' ' MET . 13.1 t0 -78.77 92.28 4.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.645 0.26 . . . . 0.0 111.291 -179.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.408 ' CD1' ' CG1' ' A' ' 66' ' ' VAL . 14.5 t80 -48.53 -43.8 35.73 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.927 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.08 -33.59 87.64 Favored Glycine 0 CA--C 1.517 0.211 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.825 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.455 ' CZ ' ' HG ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -73.68 -49.97 23.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.731 0.301 . . . . 0.0 111.179 -179.819 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.52 ' HA ' HD11 ' A' ' 19' ' ' LEU . 12.5 ptp -60.77 -46.66 89.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.663 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -59.4 -42.1 90.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.799 0.333 . . . . 0.0 110.45 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.81 -41.6 82.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.567 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.403 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -76.67 -42.98 39.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.726 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.454 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 7.4 t80 -53.24 -45.61 68.82 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.194 179.403 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.424 ' HA ' ' OG ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -66.14 -33.66 76.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.774 179.815 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -67.51 -52.22 41.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.259 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.452 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 7.4 mm100 -74.89 -21.32 59.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.619 -179.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.424 ' OG ' ' HA ' ' A' ' 35' ' ' LYS . 80.8 p -71.69 -26.86 62.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.649 179.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.476 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 6.0 mt -79.21 -30.45 43.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.199 -179.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.8 pp -85.32 -17.07 37.94 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.114 -0.234 . . . . 0.0 111.359 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.3 mt -95.42 1.92 54.34 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -80.45 134.4 54.84 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 120.765 0.317 . . . . 0.0 110.338 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -46.69 -19.54 0.77 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.92 2.413 . . . . 0.0 113.344 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -81.76 -21.94 37.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.702 0.286 . . . . 0.0 111.264 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.476 ' HG3' ' O ' ' A' ' 39' ' ' LEU . 10.8 mmtt -116.57 31.1 6.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.814 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.0 88.16 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.636 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -158.13 164.8 33.51 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.503 -0.856 . . . . 0.0 112.59 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.06 148.23 23.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.868 0.366 . . . . 0.0 110.669 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.74 -42.38 41.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.664 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.53 -29.04 49.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.533 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.11 -50.79 12.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.062 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 7.0 tpt -57.67 -26.83 62.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.964 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -79.98 -34.42 38.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.708 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.414 ' HG2' ' CD1' ' A' ' 58' ' ' LEU . 2.3 tt0 -69.39 -50.42 46.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.454 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 8.8 tp -57.93 -49.0 78.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.091 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -61.49 -35.66 78.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.834 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.33 -40.83 50.34 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.44 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 5.7 mt -76.34 -24.0 54.25 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.748 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.583 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 62.3 t-105 -90.24 -18.04 26.38 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.16 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.405 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -78.31 -61.59 2.46 Favored Glycine 0 C--N 1.336 0.582 0 C-N-CA 121.008 -0.615 . . . . 0.0 111.88 179.167 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.549 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -55.71 -51.18 68.21 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 107.313 -1.366 . . . . 0.0 107.313 179.174 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.549 ' N ' ' CG2' ' A' ' 61' ' ' THR . 2.6 t80 -42.76 -54.8 3.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 113.805 -1.543 . . . . 0.0 109.303 177.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.583 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 1.1 ttmt -51.6 -44.12 62.75 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.03 -1.441 . . . . 0.0 111.584 179.333 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 68.7 m -47.31 -37.54 11.05 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-O 121.355 0.598 . . . . 0.0 109.701 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -85.44 -31.57 22.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.34 178.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.556 ' HB ' ' HA ' ' A' ' 63' ' ' LYS . 73.1 t -54.79 -48.67 73.02 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.118 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.999 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -55.28 -31.23 61.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.061 0.457 . . . . 0.0 110.29 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -91.07 -22.59 20.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.503 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.452 ' O ' ' HB2' ' A' ' 73' ' ' LEU . 0.5 OUTLIER -61.9 -32.31 72.68 Favored 'General case' 0 N--CA 1.461 0.076 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.654 -178.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.0 mpp_? -72.26 1.24 8.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.075 0.464 . . . . 0.0 111.887 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.43 -37.1 3.09 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.725 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -94.83 39.79 1.1 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.452 ' HB2' ' O ' ' A' ' 69' ' ' LEU . 3.0 mt -136.29 -73.48 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.017 0.437 . . . . 0.0 110.616 179.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -144.43 131.89 4.56 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.515 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -142.84 -36.39 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.369 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 43.4 p -73.75 141.41 46.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.697 0.284 . . . . 0.0 111.11 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -124.04 -48.25 0.23 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.306 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -98.78 118.46 35.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.93 0.395 . . . . 0.0 110.718 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.084 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.8 ttp . . . . . 0 N--CA 1.488 1.439 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.47 128.52 35.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.809 0.338 . . . . 0.0 110.786 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.469 ' HB3' ' OG1' ' A' ' 61' ' ' THR . 0.7 OUTLIER -95.66 92.24 6.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.597 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.4 m -126.73 125.29 66.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.886 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.764 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.0 pt? -87.51 149.89 24.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.992 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.0 p -86.58 -174.53 5.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.498 -178.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.451 ' HG3' ' N ' ' A' ' 8' ' ' ALA . 18.1 ptt85 -58.33 -34.83 71.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.839 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.451 ' N ' ' HG3' ' A' ' 7' ' ' ARG . . . -65.99 -41.27 91.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.037 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.764 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -71.84 -53.41 13.35 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 120.834 0.35 . . . . 0.0 111.123 -179.805 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.613 ' N ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -62.28 -35.19 78.23 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.932 -179.184 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -65.62 -40.03 92.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.42 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.74 -31.25 70.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.004 179.265 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.4 tp -65.74 -29.45 69.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.122 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.428 ' HG ' ' CZ3' ' A' ' 24' ' ' TRP . 13.1 mt -76.06 -38.05 57.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.986 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.04 -52.0 64.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.842 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.458 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 1.3 mt -74.63 -12.11 60.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.14 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.451 HD23 ' N ' ' A' ' 17' ' ' LEU . 1.1 mm? -90.31 -10.0 45.76 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.44 19.69 2.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.29 0.567 . . . . 0.0 110.173 -178.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.474 ' CD1' HD23 ' A' ' 23' ' ' LEU . 2.6 tt -110.98 109.38 57.32 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.067 -179.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.499 ' O ' HD13 ' A' ' 23' ' ' LEU . 75.6 Cg_exo -47.04 168.3 0.06 OUTLIER 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.731 2.287 . . . . 0.0 113.365 -178.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -90.41 -3.39 57.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.115 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -78.27 -32.57 49.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.093 0.473 . . . . 0.0 110.791 -179.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.499 HD13 ' O ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -103.2 11.66 36.66 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.985 179.7 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.502 ' CH2' ' HB2' ' A' ' 10' ' ' LYS . 46.3 t-105 -56.02 104.27 0.13 Allowed 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.06 179.474 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.41 -29.67 0.7 Allowed Glycine 0 C--N 1.33 0.227 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.309 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.467 ' HB3' ' HB2' ' A' ' 29' ' ' ARG . 5.4 t0 -77.16 87.37 3.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.742 0.306 . . . . 0.0 110.957 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.484 ' CE1' ' CH2' ' A' ' 59' ' ' TRP . 50.1 t80 -45.49 -46.77 13.95 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.517 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.02 -32.46 62.66 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.755 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.467 ' HB2' ' HB3' ' A' ' 26' ' ' ASP . 5.5 ttt180 -78.59 -55.49 5.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.712 0.291 . . . . 0.0 111.079 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -49.57 76.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.137 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -56.35 -42.64 78.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.718 0.294 . . . . 0.0 110.783 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 -57.13 -39.9 76.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.318 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.03 -38.94 63.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.561 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.524 ' CE2' ' CB ' ' A' ' 59' ' ' TRP . 25.4 t80 -50.76 -45.69 59.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.846 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.51 -36.38 68.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.722 179.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -67.16 -35.95 80.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.016 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 23.9 mm100 -89.58 -21.65 22.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.231 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.3 m -69.12 -32.42 71.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.883 0.373 . . . . 0.0 110.609 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.0 mt -70.62 -37.28 73.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.192 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.7 pp -78.92 -12.06 60.02 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.132 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 24.2 mt -93.37 1.66 56.83 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.675 -0.239 . . . . 0.0 110.913 179.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.46 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 17.9 t-80 -89.97 141.48 28.1 Favored Pre-proline 0 C--N 1.333 -0.139 0 CA-C-O 120.764 0.316 . . . . 0.0 110.785 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.46 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 82.4 Cg_exo -45.4 -28.62 4.07 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 123.082 2.521 . . . . 0.0 113.6 -179.57 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.56 -19.75 55.18 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.0 mmtt -119.45 31.01 6.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.786 0.327 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 65.68 76.27 0.35 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.482 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -141.1 157.78 26.12 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.598 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.91 165.84 13.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.836 0.351 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 -81.27 -51.27 8.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.785 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.94 -27.18 68.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.45 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.1 mp -65.18 -51.8 58.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.177 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -26.26 67.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.367 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -78.97 -30.55 44.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.75 0.309 . . . . 0.0 111.1 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -71.72 -50.21 32.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.161 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.418 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 13.1 tp -65.18 -40.34 94.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.218 -179.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -62.11 -39.55 92.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.77 0.319 . . . . 0.0 110.685 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.89 -36.58 64.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.731 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.617 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 53.0 mt -72.62 -24.62 61.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.242 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.602 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 66.3 t-105 -90.27 -19.9 23.57 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.33 -58.98 2.99 Favored Glycine 0 C--N 1.334 0.435 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.517 179.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.643 HG21 ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -55.29 -50.18 70.22 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 107.254 -1.387 . . . . 0.0 107.254 178.653 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.741 ' O ' ' HG3' ' A' ' 65' ' ' GLU . 0.9 OUTLIER -45.77 -54.3 8.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 113.411 -1.722 . . . . 0.0 109.012 177.875 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.602 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 1.2 mtmt -58.1 -39.04 77.62 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.841 -1.072 . . . . 0.0 111.026 179.239 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.428 ' HB ' ' O ' ' A' ' 61' ' ' THR . 59.2 m -51.48 -40.03 58.68 Favored 'General case' 0 CA--C 1.521 -0.168 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.181 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.741 ' HG3' ' O ' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -85.14 -24.45 27.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.996 178.38 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.54 ' HB ' ' HA ' ' A' ' 63' ' ' LYS . 36.7 t -55.73 -44.87 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.087 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.593 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.97 -25.1 68.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.929 0.395 . . . . 0.0 110.361 179.387 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -90.83 -24.32 20.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.095 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.486 ' CD2' ' HA ' ' A' ' 66' ' ' VAL . 0.7 OUTLIER -62.93 -20.27 65.05 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 120.738 0.304 . . . . 0.0 110.889 -179.913 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -79.62 1.36 26.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.019 0.437 . . . . 0.0 111.972 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 42.2 mtp -103.46 -25.89 13.07 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.996 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -87.63 -4.15 58.95 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.378 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.89 87.63 7.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.961 0.41 . . . . 0.0 110.722 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -163.62 126.64 1.55 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.573 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -148.19 139.71 7.87 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.503 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 56.8 p -77.12 116.99 18.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.885 0.374 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -109.2 54.35 0.55 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.451 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -96.84 26.93 4.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.743 0.306 . . . . 0.0 111.017 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.742 179.902 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.2 mtm . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.842 0.353 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -70.12 121.45 17.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.968 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -95.12 87.76 4.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.926 0.393 . . . . 0.0 110.707 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.461 ' O ' HG21 ' A' ' 4' ' ' VAL . 22.7 m -137.08 126.39 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.231 0.539 . . . . 0.0 110.925 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.755 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.0 pt? -89.81 141.52 28.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.871 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.1 p -86.08 -174.34 5.03 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.38 -179.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.436 ' HG3' ' N ' ' A' ' 8' ' ' ALA . 12.4 ptm180 -57.51 -36.34 71.42 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.82 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.436 ' N ' ' HG3' ' A' ' 7' ' ' ARG . . . -64.02 -41.41 97.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.717 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.755 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -63.62 -59.7 4.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.101 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.488 ' HD3' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -54.4 -34.39 61.2 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.219 0.533 . . . . 0.0 110.116 179.75 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.488 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 1.5 mm-40 -71.54 -40.37 70.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.402 178.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -44.96 89.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.711 178.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.452 ' HB2' ' HB3' ' A' ' 58' ' ' LEU . 1.9 tp -60.48 -29.99 69.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.159 179.256 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.433 ' CD2' HD22 ' A' ' 19' ' ' LEU . 15.3 mt -74.47 -39.51 62.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.221 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -55.26 -55.34 32.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.958 0.409 . . . . 0.0 110.583 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.453 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 7.2 mp -71.05 -14.83 62.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.965 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.444 HD13 ' HB1' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -90.19 -8.74 50.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.678 -179.62 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.51 20.67 2.15 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.359 0.6 . . . . 0.0 109.903 -178.43 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.583 HD12 ' HG3' ' A' ' 29' ' ' ARG . 3.7 tt -110.83 107.09 57.94 Favored Pre-proline 0 N--CA 1.449 -0.516 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.224 -179.088 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.529 ' O ' HD12 ' A' ' 23' ' ' LEU . 52.5 Cg_exo -51.45 166.7 0.46 Allowed 'Trans proline' 0 N--CA 1.464 -0.251 0 C-N-CA 122.4 2.067 . . . . 0.0 112.732 -179.419 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.06 -9.0 58.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.782 179.274 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -69.12 -36.17 77.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.105 -179.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.529 HD12 ' O ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -102.32 10.95 38.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.27 179.719 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.477 ' CH2' ' HB2' ' A' ' 10' ' ' LYS . 62.8 t-105 -52.83 110.19 0.49 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.191 179.407 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 142.89 -24.11 2.28 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.871 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -80.24 101.47 8.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.69 0.281 . . . . 0.0 111.049 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.456 ' CD1' HG11 ' A' ' 66' ' ' VAL . 24.9 t80 -53.5 -51.83 61.56 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.179 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -54.75 -28.97 48.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.579 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.583 ' HG3' HD12 ' A' ' 19' ' ' LEU . 19.7 tpp180 -80.95 -54.71 5.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.665 0.269 . . . . 0.0 111.058 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.464 ' HA ' HD13 ' A' ' 19' ' ' LEU . 8.2 ptp -56.17 -45.77 79.57 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.122 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -63.61 -37.83 88.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.705 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.441 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -58.41 -45.27 88.73 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.708 179.672 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.444 ' HB1' HD13 ' A' ' 17' ' ' LEU . . . -76.71 -40.89 47.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.97 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.434 ' CE2' ' CB ' ' A' ' 59' ' ' TRP . 10.9 t80 -52.69 -45.86 67.01 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.89 0.376 . . . . 0.0 110.424 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.89 -34.96 72.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.724 179.649 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -66.24 -40.86 90.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.782 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 20.3 mm100 -83.13 -23.11 33.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.29 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 79.3 p -73.74 -32.46 63.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.875 0.369 . . . . 0.0 110.261 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.521 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 12.1 mt -70.83 -29.63 65.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.913 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.434 HD11 ' HG ' ' A' ' 41' ' ' LEU . 3.1 pp -89.92 -15.35 32.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.009 179.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.434 ' HG ' HD11 ' A' ' 40' ' ' LEU . 31.3 mt -95.17 -4.17 46.5 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.195 179.262 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.512 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 2.5 t-160 -67.38 126.95 93.28 Favored Pre-proline 0 CA--C 1.532 0.254 0 CA-C-N 116.673 -0.24 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.512 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 82.3 Cg_exo -44.05 -33.41 5.54 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.885 2.39 . . . . 0.0 113.346 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.54 -10.93 60.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.546 -179.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.521 ' HG3' ' O ' ' A' ' 39' ' ' LEU . 17.1 mmtt -113.17 31.12 6.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.893 0.377 . . . . 0.0 111.128 -179.495 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 65.47 19.54 66.83 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.791 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -92.6 170.24 32.2 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.523 -0.846 . . . . 0.0 112.566 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.08 137.12 32.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.817 0.341 . . . . 0.0 110.958 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -74.45 -33.66 62.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.59 -21.1 66.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.281 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.31 -50.58 6.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.011 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 5.8 tpt -57.18 -29.31 63.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.271 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.96 -32.22 39.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.935 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.04 -44.83 68.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.952 0.406 . . . . 0.0 110.387 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.2 tp -60.95 -42.8 98.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.822 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.22 -29.91 70.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.653 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.5 m -76.51 -36.24 57.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.777 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.627 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 16.6 mt -79.44 -22.31 44.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.533 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 64.1 t-105 -90.28 -21.98 21.81 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.63 -64.47 2.58 Favored Glycine 0 C--N 1.335 0.486 0 C-N-CA 121.037 -0.601 . . . . 0.0 111.749 179.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.549 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -53.41 -51.69 61.79 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.052 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.549 ' N ' ' CG2' ' A' ' 61' ' ' THR . 1.7 t80 -43.42 -48.97 7.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 113.869 -1.514 . . . . 0.0 109.232 177.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.602 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 0.4 OUTLIER -53.86 -40.99 67.02 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 113.917 -1.492 . . . . 0.0 111.248 179.479 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 93.7 m -47.87 -37.27 13.65 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.439 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 4.7 mm-40 -85.34 -32.04 22.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.59 178.306 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.602 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 78.2 t -53.16 -39.26 33.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.951 179.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -65.71 -36.73 84.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.439 ' ND2' ' HA ' ' A' ' 65' ' ' GLU . 20.7 p30 -88.83 -11.71 44.01 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.636 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.15 -33.72 76.07 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.038 0.447 . . . . 0.0 110.291 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.7 mtm-85 -75.24 1.04 14.52 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.037 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.3 mtt -116.69 -58.15 2.11 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.727 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -67.12 116.23 7.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.688 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.7 tt -129.25 -67.01 0.79 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.006 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -151.43 -125.86 1.24 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.457 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 155.09 109.54 0.33 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.6 m -89.08 116.42 27.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.852 0.358 . . . . 0.0 110.86 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 161.64 72.73 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.455 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -73.91 164.99 25.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.769 0.318 . . . . 0.0 111.019 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.816 179.931 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.843 0.354 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -64.55 -175.03 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.08 71.53 1.04 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.437 ' O ' HG21 ' A' ' 4' ' ' VAL . 16.3 m -137.99 125.47 29.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.174 0.511 . . . . 0.0 110.979 179.43 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.655 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER -86.53 139.7 30.61 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.776 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.8 p -89.97 -174.32 4.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.796 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.403 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 23.8 tpt180 -55.06 -41.15 71.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.347 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.6 -33.44 72.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.607 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.655 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 12.0 m-20 -78.04 -54.22 6.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.975 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.44 -33.84 68.35 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.019 0.437 . . . . 0.0 110.068 179.344 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 2.2 mm-40 -69.07 -34.56 75.34 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 178.481 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -35.28 78.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.776 179.034 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.445 ' HB2' ' HB3' ' A' ' 58' ' ' LEU . 2.7 tp -64.2 -36.35 83.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.884 179.171 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.47 ' HG ' ' CZ3' ' A' ' 24' ' ' TRP . 11.5 mt -63.21 -40.38 97.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.93 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -57.75 -55.56 33.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.711 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.483 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 1.2 mt -65.35 -15.25 62.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 179.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' ' 34' ' ' TYR . 0.9 OUTLIER -90.15 -10.71 43.51 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -179.536 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.22 19.35 2.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.405 0.621 . . . . 0.0 110.151 -178.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.557 ' CD1' HD23 ' A' ' 23' ' ' LEU . 3.4 tt -110.47 110.99 57.66 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 115.21 -0.904 . . . . 0.0 109.801 -179.329 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.504 ' O ' HD11 ' A' ' 23' ' ' LEU . 86.7 Cg_exo -45.53 167.6 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.871 2.381 . . . . 0.0 113.567 -178.596 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.7 mtt180 -90.16 -3.78 57.67 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.215 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -79.79 -30.34 40.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.955 0.407 . . . . 0.0 111.394 -178.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.557 HD23 ' CD1' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -103.77 11.7 35.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.324 -179.868 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.47 ' CZ3' ' HG ' ' A' ' 14' ' ' LEU . 31.0 t-105 -56.47 97.4 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.907 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 161.32 -28.85 0.3 Allowed Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.687 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -81.28 94.66 6.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.68 0.276 . . . . 0.0 111.123 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.445 ' HA ' ' CG ' ' A' ' 30' ' ' MET . 30.3 t80 -47.93 -35.6 10.94 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.306 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.539 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -64.55 -37.05 93.91 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.838 -0.696 . . . . 0.0 113.03 -179.49 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -80.33 -43.36 21.33 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -179.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.445 ' CG ' ' HA ' ' A' ' 27' ' ' PHE . 12.6 ptp -64.99 -48.62 73.34 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 121.22 -0.192 . . . . 0.0 111.446 -179.432 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -64.3 -34.4 78.05 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.829 -0.349 . . . . 0.0 110.181 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.539 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.6 OUTLIER -59.25 -50.09 75.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.093 0.473 . . . . 0.0 109.903 179.194 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.31 -42.62 96.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.65 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.467 ' CE2' ' CB ' ' A' ' 59' ' ' TRP . 12.3 t80 -50.64 -42.25 56.15 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.827 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -67.73 -41.87 82.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.729 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -60.94 -34.81 75.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.637 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.483 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 64.7 mm-40 -88.69 -20.89 24.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.275 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.6 -27.96 63.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.873 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 69.5 mt -83.91 -26.93 28.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.463 -179.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.427 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 4.5 pp -90.03 -19.59 24.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.76 0.314 . . . . 0.0 110.915 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.6 mt -90.69 9.95 27.77 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.982 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.527 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 24.6 t-80 -88.42 142.55 31.41 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.049 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.527 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 25.4 Cg_endo -63.04 -8.94 15.21 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.499 2.132 . . . . 0.0 113.198 -179.28 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -92.26 -24.91 18.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.77 0.319 . . . . 0.0 110.641 179.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.416 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -105.2 30.63 5.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.766 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.21 72.37 0.68 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.516 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -152.39 173.24 31.52 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.452 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.13 145.23 25.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.82 0.343 . . . . 0.0 110.988 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.6 p-80 -82.54 -40.15 21.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.407 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -58.67 -19.02 35.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.472 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.7 mt -82.68 -48.38 10.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.829 0.347 . . . . 0.0 111.012 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -32.54 50.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.057 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.429 ' O ' ' OG ' ' A' ' 57' ' ' SER . 0.0 OUTLIER -84.49 -31.74 24.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.591 179.646 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 1.0 OUTLIER -70.07 -43.01 72.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.938 0.399 . . . . 0.0 110.784 179.614 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.0 tp -70.11 -39.46 75.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.699 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -60.32 -34.78 74.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.6 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 53' ' ' GLN . 0.8 OUTLIER -69.93 -28.21 65.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 179.888 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.499 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 1.9 mt -86.74 -28.92 22.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.091 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.608 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 69.4 t-105 -89.72 -18.38 26.5 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.4 -64.56 2.25 Favored Glycine 0 C--N 1.335 0.507 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.995 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.54 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -53.16 -49.7 66.1 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 179.054 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.54 ' N ' ' CG2' ' A' ' 61' ' ' THR . 5.5 t80 -44.43 -52.51 7.75 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 113.473 -1.694 . . . . 0.0 109.183 177.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.608 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 0.9 OUTLIER -56.9 -42.44 79.91 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.476 -1.238 . . . . 0.0 111.045 179.079 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' A' ' 61' ' ' THR . 87.0 m -49.07 -36.5 18.61 Favored 'General case' 0 CA--C 1.521 -0.155 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.051 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -85.44 -30.2 23.73 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.459 178.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.681 ' HA ' HD21 ' A' ' 69' ' ' LEU . 70.5 t -55.26 -44.32 74.64 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.162 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -59.31 -31.64 69.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.977 0.418 . . . . 0.0 110.266 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -91.03 -22.33 20.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.67 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.681 HD21 ' HA ' ' A' ' 66' ' ' VAL . 0.4 OUTLIER -60.37 -24.49 65.13 Favored 'General case' 0 N--CA 1.462 0.17 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.169 -179.156 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.04 0.97 16.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.872 0.368 . . . . 0.0 111.923 -179.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.3 mmt -120.53 -40.0 2.71 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.728 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -69.58 145.01 52.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.79 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.38 39.42 1.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.812 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 155.41 -42.96 0.57 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.346 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 150.85 -179.48 27.52 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.424 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 56.1 p -80.62 115.31 20.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.872 0.367 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 129.36 52.67 0.11 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.337 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -80.03 133.07 36.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.015 0.436 . . . . 0.0 111.236 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.221 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 120.833 0.349 . . . . 0.0 111.313 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -125.5 -70.71 0.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.801 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.447 ' HG2' ' OG1' ' A' ' 61' ' ' THR . 0.7 OUTLIER -138.56 83.9 1.99 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.613 179.806 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.435 ' O ' HG21 ' A' ' 4' ' ' VAL . 27.3 m -134.22 119.93 32.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.108 0.48 . . . . 0.0 111.227 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.749 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 1.5 pt? -90.42 143.27 26.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.829 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 p -84.71 -177.25 6.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.547 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.0 ptt180 -55.64 -35.02 65.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.08 -36.92 83.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.749 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 8.6 m-20 -68.55 -57.4 5.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.508 ' N ' HD11 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -58.3 -39.29 78.94 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.011 0.434 . . . . 0.0 110.195 -179.904 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -67.26 -36.24 81.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.488 178.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.403 ' HD2' ' CD1' ' A' ' 58' ' ' LEU . 14.8 ttm180 -68.03 -33.74 75.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.711 178.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.422 ' HB2' ' HB3' ' A' ' 58' ' ' LEU . 2.9 tp -64.89 -34.72 79.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.686 178.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.415 ' HG ' ' CZ3' ' A' ' 24' ' ' TRP . 12.1 mt -65.17 -41.13 94.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -57.84 -43.74 86.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.47 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.417 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 7.1 mp -80.15 -13.87 58.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.85 179.528 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.412 ' N ' HD21 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -90.25 -9.16 49.02 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.772 -179.628 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.78 19.07 3.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.303 0.573 . . . . 0.0 109.956 -178.444 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.495 ' CD1' HD21 ' A' ' 23' ' ' LEU . 3.2 tt -112.15 110.82 53.5 Favored Pre-proline 0 N--CA 1.449 -0.489 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.804 -179.197 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.526 ' O ' HD13 ' A' ' 23' ' ' LEU . 75.2 Cg_exo -47.02 166.85 0.08 OUTLIER 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.572 2.181 . . . . 0.0 112.997 -179.001 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.18 -2.98 58.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.422 179.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.94 -28.35 35.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.788 0.328 . . . . 0.0 111.185 -179.26 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.526 HD13 ' O ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -105.1 11.48 33.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.229 179.92 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.469 ' CH2' ' HB2' ' A' ' 10' ' ' LYS . 44.0 t-105 -55.63 96.47 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.996 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 162.29 -28.98 0.27 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.627 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.423 ' HB3' ' HB2' ' A' ' 29' ' ' ARG . 5.3 t0 -78.57 94.88 5.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.825 0.345 . . . . 0.0 110.919 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.447 ' HA ' ' HG2' ' A' ' 30' ' ' MET . 44.6 t80 -49.51 -39.85 35.65 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.722 -179.583 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.15 -32.58 82.97 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.814 -0.707 . . . . 0.0 113.391 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.423 ' HB2' ' HB3' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -82.36 -46.46 13.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.725 0.263 . . . . 0.0 111.663 -179.35 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.447 ' HG2' ' HA ' ' A' ' 27' ' ' PHE . 14.5 ptp -58.05 -46.49 85.29 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.599 0.238 . . . . 0.0 110.863 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -62.01 -43.86 97.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.855 0.36 . . . . 0.0 110.182 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -59.45 -32.98 70.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.999 179.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.9 -42.78 26.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.316 179.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.439 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 13.4 t80 -53.2 -47.69 68.7 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.465 179.448 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.61 -37.33 68.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.54 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.4 -35.65 72.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.431 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 82.6 mm-40 -90.13 -20.95 22.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.022 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.0 m -69.25 -28.42 66.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.397 179.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.0 mt -73.93 -32.09 63.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.052 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.402 ' CD1' ' HG ' ' A' ' 41' ' ' LEU . 2.7 pp -87.67 -15.89 35.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.425 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.585 HD22 ' HB3' ' A' ' 51' ' ' LEU . 20.1 mt -95.15 3.14 55.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.403 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.513 ' HD1' ' HB2' ' A' ' 44' ' ' ASP . 19.5 t-80 -76.93 130.03 77.01 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-O 120.806 0.336 . . . . 0.0 111.006 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_exo -43.82 -38.7 9.99 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.225 2.616 . . . . 0.0 113.875 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.513 ' HB2' ' HD1' ' A' ' 42' ' ' HIS . 0.2 OUTLIER -61.18 -13.73 20.16 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 -179.195 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.7 mmtm -103.75 31.0 4.69 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.832 0.349 . . . . 0.0 110.937 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 61.74 17.52 54.44 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.856 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -93.46 179.48 38.94 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.398 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.404 ' HB3' HD11 ' A' ' 51' ' ' LEU . 0.7 OUTLIER -90.03 145.78 24.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.789 0.328 . . . . 0.0 110.913 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -83.32 -35.29 25.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.934 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.36 -32.56 74.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.095 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.585 ' HB3' HD22 ' A' ' 41' ' ' LEU . 6.1 mp -59.89 -56.49 21.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.68 -31.55 64.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -64.18 -29.58 70.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.81 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -43.01 35.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.439 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 7.7 tp -55.66 -46.44 77.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.992 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -59.23 -31.08 68.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.7 m -77.35 -53.23 7.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.933 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.573 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 11.1 mt -62.39 -28.34 69.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.059 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.509 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 63.2 t-105 -90.1 -24.57 21.08 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 179.507 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.446 ' HA2' ' NZ ' ' A' ' 63' ' ' LYS . . . -69.47 -65.85 2.44 Favored Glycine 0 C--N 1.335 0.508 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.962 179.217 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.59 ' CG2' HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -50.5 -50.15 53.63 Favored 'General case' 0 CA--C 1.513 -0.475 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 178.765 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.537 ' N ' ' CG2' ' A' ' 61' ' ' THR . 7.5 t80 -45.65 -51.35 12.39 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 113.348 -1.751 . . . . 0.0 109.359 177.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.553 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 0.2 OUTLIER -55.85 -39.05 70.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.307 -1.315 . . . . 0.0 111.333 179.747 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.423 ' HB ' ' O ' ' A' ' 61' ' ' THR . 89.0 m -47.32 -38.69 13.22 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 121.395 0.617 . . . . 0.0 109.481 179.402 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -85.72 -31.56 22.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.859 178.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.553 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 62.9 t -52.72 -45.44 49.04 Favored 'Isoleucine or valine' 0 C--O 1.23 0.066 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.049 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.54 -30.07 68.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.418 179.707 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -90.88 -23.48 20.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.727 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.461 ' CD2' ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -59.85 -33.47 71.83 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.788 0.327 . . . . 0.0 110.906 -179.402 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.1 mtp-105 -76.15 1.1 16.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.057 0.456 . . . . 0.0 111.756 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.8 mtm -119.69 -42.64 2.62 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.554 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -68.97 127.99 35.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.749 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.77 85.64 2.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 72.49 158.98 4.39 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.518 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 163.29 -104.92 0.24 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.528 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 10.1 t -69.3 139.54 54.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.832 0.348 . . . . 0.0 110.958 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 155.02 -37.1 0.65 Allowed Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.551 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -157.92 106.05 2.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.771 0.319 . . . . 0.0 110.879 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.803 179.939 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.827 0.346 . . . . 0.0 111.403 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.68 122.19 6.9 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.255 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -94.53 90.08 6.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.696 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.5 m -129.84 127.56 64.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.149 0.5 . . . . 0.0 111.281 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.798 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.5 pt? -87.26 143.61 27.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.827 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 p -85.4 -174.07 5.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.403 -179.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.9 mtt180 -57.54 -38.57 74.93 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.689 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.03 -40.81 98.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.111 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.798 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 4.6 m-20 -64.81 -59.09 4.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.851 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.439 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -57.44 -37.9 73.57 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.985 0.422 . . . . 0.0 110.367 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -64.9 -38.11 89.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.275 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 -75.19 -34.02 61.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.141 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.408 HD23 ' CD2' ' A' ' 62' ' ' PHE . 2.3 tp -62.95 -35.0 78.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.137 179.307 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.416 HD12 ' CE3' ' A' ' 24' ' ' TRP . 25.4 mt -71.62 -41.54 68.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.863 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -57.04 -28.96 62.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.796 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.2 mt -89.51 -24.32 21.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.09 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.402 HD13 ' CD1' ' A' ' 55' ' ' LEU . 8.6 mp -87.51 -2.51 58.66 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.45 19.79 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.299 0.571 . . . . 0.0 109.902 -178.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.482 ' CD1' HD23 ' A' ' 23' ' ' LEU . 3.0 tt -109.87 109.49 59.32 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.98 -179.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.539 ' O ' HD13 ' A' ' 23' ' ' LEU . 78.6 Cg_exo -46.63 169.29 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.819 2.346 . . . . 0.0 113.235 -179.071 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -90.04 -10.63 44.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.789 179.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -32.51 69.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.377 -178.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.539 HD13 ' O ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -102.03 10.0 39.94 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.387 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.439 ' CH2' ' HB2' ' A' ' 10' ' ' LYS . 69.4 t-105 -50.55 108.26 0.22 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.302 179.527 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 143.32 -23.93 2.21 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.959 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.408 ' HB3' ' HB2' ' A' ' 29' ' ' ARG . 15.6 t0 -78.1 93.14 4.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.77 0.319 . . . . 0.0 111.138 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.438 ' HA ' ' HG2' ' A' ' 30' ' ' MET . 20.4 t80 -51.75 -40.97 61.21 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.936 -179.737 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.01 -37.71 93.42 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 113.44 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.408 ' HB2' ' HB3' ' A' ' 26' ' ' ASP . 2.1 mmt-85 -78.63 -37.12 42.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.73 0.265 . . . . 0.0 111.487 -179.349 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.438 ' HG2' ' HA ' ' A' ' 27' ' ' PHE . 12.0 ptp -68.58 -45.97 70.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.641 0.258 . . . . 0.0 110.824 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -61.02 -37.34 82.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.901 0.381 . . . . 0.0 110.306 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.98 -46.52 88.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.337 179.392 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.69 -32.0 65.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.829 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.479 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 14.1 t80 -63.79 -44.79 92.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.628 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.3 -42.56 96.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.857 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -65.3 -30.94 71.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -87.46 -22.12 25.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.055 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.5 m -76.03 -30.68 58.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.472 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.89 -35.74 69.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.905 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 pp -84.15 -13.77 51.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.197 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 37.0 mt -93.35 1.97 56.73 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 120.776 0.322 . . . . 0.0 110.922 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.511 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 4.8 t-80 -78.7 140.01 58.77 Favored Pre-proline 0 CA--C 1.531 0.217 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.367 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.511 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 20.2 Cg_endo -62.33 -14.96 41.83 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.82 2.346 . . . . 0.0 113.856 -178.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.458 ' HB2' ' HD1' ' A' ' 42' ' ' HIS . 1.1 m-20 -85.69 -20.78 28.87 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.984 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.415 ' HD3' ' HB3' ' A' ' 42' ' ' HIS . 0.2 OUTLIER -103.12 28.66 6.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.948 0.404 . . . . 0.0 110.62 179.625 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.43 30.16 60.8 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.468 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.428 ' O ' ' HA ' ' A' ' 43' ' ' PRO . . . -105.73 163.06 14.01 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.979 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.54 158.6 16.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.992 0.425 . . . . 0.0 111.234 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -78.18 -49.65 13.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.628 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.435 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -55.6 -36.5 67.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.535 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.33 -48.56 55.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.919 0.39 . . . . 0.0 110.708 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 7.5 tpt -57.84 -48.93 78.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.251 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.16 -32.66 72.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.211 -179.638 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 1.9 mt-10 -62.28 -41.38 98.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.958 0.408 . . . . 0.0 110.521 179.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.479 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 37.2 tp -64.28 -51.52 63.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.935 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.11 -37.78 81.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.719 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.6 -37.95 88.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.786 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.611 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 21.0 mt -82.52 -23.58 34.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.566 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 71.1 t-105 -89.77 -18.24 26.69 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.96 -61.08 2.75 Favored Glycine 0 C--N 1.335 0.484 0 C-N-CA 120.995 -0.621 . . . . 0.0 111.702 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.616 HG21 HD21 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -55.76 -50.43 70.45 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 178.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.561 ' N ' ' CG2' ' A' ' 61' ' ' THR . 1.5 t80 -44.35 -49.1 9.69 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 113.406 -1.725 . . . . 0.0 109.481 177.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.577 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 1.8 ttmt -59.64 -34.97 73.48 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 114.237 -1.347 . . . . 0.0 111.131 179.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.1 m -47.23 -37.8 11.1 Favored 'General case' 0 CA--C 1.521 -0.147 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -85.61 -33.3 21.68 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.678 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.577 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 78.5 t -54.87 -40.59 53.41 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.747 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -63.95 -30.11 71.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.396 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -90.51 -20.55 22.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.331 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.448 HD23 ' CG1' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -58.6 -38.89 78.94 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.781 0.324 . . . . 0.0 110.54 -179.364 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -72.98 1.0 9.69 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.204 -0.453 . . . . 0.0 112.126 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.1 mmm -108.87 -31.11 7.8 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.519 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 33.0 m-20 -64.54 173.47 2.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.916 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -95.25 21.98 7.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -96.79 27.78 16.45 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.5 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.44 -83.59 0.1 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.497 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.1 t -72.95 140.77 47.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.909 0.385 . . . . 0.0 111.083 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -159.06 53.55 0.37 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.312 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -72.8 124.82 26.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.864 0.364 . . . . 0.0 111.108 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.877 179.829 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.4 mmt . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.85 0.357 . . . . 0.0 111.421 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -69.68 115.08 8.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.217 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.1 ptt-85 -146.87 96.43 2.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.639 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.52 ' O ' HG21 ' A' ' 4' ' ' VAL . 31.3 m -137.83 119.41 17.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.427 0.632 . . . . 0.0 111.325 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.77 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER -77.98 147.56 34.84 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.308 179.748 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.422 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 90.0 p -90.57 -177.32 5.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.136 -179.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -54.65 -35.8 63.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.919 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.06 -36.06 77.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.615 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.77 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 17.4 m-20 -84.89 -46.03 11.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.261 -179.539 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.44 ' HG3' ' N ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -62.39 -35.36 78.94 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.161 179.671 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.44 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 7.7 mm-40 -68.74 -34.46 75.64 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.635 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -60.86 -32.54 71.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.833 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.45 ' HB2' ' HB3' ' A' ' 58' ' ' LEU . 2.7 tp -68.43 -36.25 78.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.918 179.243 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.457 ' CD2' HD21 ' A' ' 19' ' ' LEU . 14.2 mt -68.53 -38.44 80.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.064 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.79 -50.46 70.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.857 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.418 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 1.9 mt -75.28 -15.66 60.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.094 179.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.444 HD23 ' N ' ' A' ' 17' ' ' LEU . 1.3 mm? -90.16 -8.3 51.55 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.787 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.37 20.77 1.5 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.34 0.59 . . . . 0.0 110.229 -178.625 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.579 HD11 HD23 ' A' ' 23' ' ' LEU . 3.6 tt -107.89 107.64 60.5 Favored Pre-proline 0 N--CA 1.449 -0.516 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.813 -179.681 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.48 ' O ' HD12 ' A' ' 23' ' ' LEU . 88.0 Cg_exo -47.22 168.31 0.07 OUTLIER 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.742 2.295 . . . . 0.0 113.143 -178.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.434 ' HG3' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -88.87 -5.01 58.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.89 179.384 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -75.71 -33.99 60.35 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.152 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.579 HD23 HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -104.4 12.96 32.8 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.346 -179.743 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 54.4 t-105 -55.89 105.71 0.21 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.037 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 150.33 -21.26 1.08 Allowed Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.91 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.448 ' O ' ' HG2' ' A' ' 30' ' ' MET . 21.6 t0 -84.35 108.44 17.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.663 0.231 . . . . 0.0 111.038 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.48 ' CD1' HG12 ' A' ' 66' ' ' VAL . 12.3 t80 -61.42 -40.18 93.49 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.699 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.59 -33.22 84.16 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.774 -0.727 . . . . 0.0 113.244 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.8 mtt-85 -82.99 -41.93 18.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.86 0.33 . . . . 0.0 111.669 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.54 ' HA ' HD13 ' A' ' 19' ' ' LEU . 14.2 ptp -65.98 -49.09 69.07 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 121.323 -0.151 . . . . 0.0 111.111 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -63.3 -40.54 97.63 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.48 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 7.0 tp60 -60.51 -38.95 86.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.946 179.116 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.19 -42.35 55.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.595 179.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.479 ' CD2' ' CG ' ' A' ' 59' ' ' TRP . 11.9 t80 -51.77 -39.33 58.41 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.706 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -74.25 -42.84 59.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.975 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' A' ' 32' ' ' GLN . 27.2 mm-40 -65.65 -31.93 73.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.628 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.426 ' HA ' HD21 ' A' ' 40' ' ' LEU . 97.8 mm-40 -87.31 -22.69 24.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.02 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.41 -22.07 62.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.439 179.096 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.53 HD23 ' HZ1' ' A' ' 45' ' ' LYS . 3.9 mt -83.75 -32.15 25.59 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.253 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.426 HD21 ' HA ' ' A' ' 37' ' ' GLN . 4.3 pp -85.19 -10.45 56.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.3 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.406 HD21 ' HB3' ' A' ' 51' ' ' LEU . 0.5 OUTLIER -95.09 -10.13 31.63 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.795 0.331 . . . . 0.0 110.952 179.462 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.544 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 2.4 t-80 -58.91 145.36 79.64 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.405 179.27 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.544 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 38.5 Cg_endo -67.3 -8.57 22.4 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.355 2.037 . . . . 0.0 112.755 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.412 ' HB3' ' HD2' ' A' ' 45' ' ' LYS . 2.2 t70 -88.48 -22.08 23.84 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 120.654 0.264 . . . . 0.0 110.853 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.53 ' HZ1' HD23 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -106.72 29.56 6.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.834 0.349 . . . . 0.0 110.639 179.594 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.48 66.27 2.41 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.433 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -137.29 161.91 25.31 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.413 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 m -90.18 133.81 34.67 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.754 0.311 . . . . 0.0 110.805 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.434 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 5.9 p80 -69.34 -28.63 66.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.892 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.416 ' HA ' HE21 ' A' ' 53' ' ' GLN . . . -68.58 -27.74 66.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.554 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.406 ' HB3' HD21 ' A' ' 41' ' ' LEU . 1.7 mp -78.27 -50.29 12.12 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.983 0.42 . . . . 0.0 111.011 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.93 -51.62 63.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.674 -179.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 17.7 pt20 -64.03 -26.88 68.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.631 0.253 . . . . 0.0 111.151 -179.512 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -73.44 -39.07 65.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.09 0.471 . . . . 0.0 110.451 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.449 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 13.6 tp -58.04 -42.28 85.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.267 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -62.05 -29.06 70.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.04 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.1 t -76.72 -28.4 55.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.207 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.477 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 17.4 mt -89.84 -31.45 17.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.166 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.653 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 66.0 t-105 -88.07 -17.05 31.94 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 179.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.42 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -78.95 -59.66 2.73 Favored Glycine 0 C--N 1.338 0.676 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.156 179.398 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.547 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -57.08 -50.59 72.31 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 179.221 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.547 ' N ' ' CG2' ' A' ' 61' ' ' THR . 4.7 t80 -43.55 -51.09 7.02 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 113.359 -1.746 . . . . 0.0 109.311 177.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.653 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 1.2 ttmt -55.76 -39.45 71.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.191 -1.368 . . . . 0.0 111.162 179.304 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.418 ' HB ' ' O ' ' A' ' 61' ' ' THR . 91.5 m -48.25 -37.58 16.47 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.191 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.5 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 1.8 mm-40 -85.2 -29.94 24.3 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.793 178.529 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.57 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 70.3 t -56.72 -33.81 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.949 179.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -69.75 -35.23 74.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.712 0.291 . . . . 0.0 110.819 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.5 ' ND2' ' HA ' ' A' ' 65' ' ' GLU . 17.1 p30 -88.98 -15.28 34.58 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.338 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.446 HD21 ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -59.57 -31.07 69.1 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 120.889 0.376 . . . . 0.0 110.884 179.841 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.91 1.06 11.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.865 -179.56 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 8.8 mmt -106.7 -31.36 8.47 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.786 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -67.94 -171.71 0.24 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.621 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.18 74.87 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.661 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -153.46 52.05 0.47 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.556 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -74.76 101.52 1.31 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.461 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 73.2 p -84.95 103.44 14.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.905 0.383 . . . . 0.0 111.139 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 64.91 -78.27 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.883 -0.675 . . . . 0.0 113.071 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.8 106.98 9.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.832 0.349 . . . . 0.0 111.455 -179.455 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.68 179.593 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 mtm . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.862 0.363 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.04 139.86 45.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.118 -179.935 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.3 ttm-85 -95.86 90.81 5.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.235 179.493 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.492 ' O ' HG23 ' A' ' 4' ' ' VAL . 23.7 m -138.11 122.06 21.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.345 0.593 . . . . 0.0 111.512 -179.891 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.763 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER -87.49 147.8 25.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.292 179.452 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.406 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 27.0 p -90.61 -174.26 4.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.436 -179.44 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.41 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 7.5 mtt180 -58.07 -39.17 77.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.656 179.893 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.37 -49.13 76.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.303 179.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.763 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 21.8 m-20 -64.82 -57.22 9.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.952 -179.836 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 6' ' ' SER . 0.1 OUTLIER -54.12 -31.76 53.11 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.999 0.428 . . . . 0.0 110.009 179.53 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 8.7 mt-10 -65.9 -38.74 89.51 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.583 178.502 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -62.46 -30.59 71.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.905 179.195 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.41 HD23 ' CD2' ' A' ' 62' ' ' PHE . 3.1 tp -70.73 -31.62 68.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.987 179.149 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.437 ' HG ' ' CZ3' ' A' ' 24' ' ' TRP . 11.7 mt -72.96 -41.12 64.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.988 179.748 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -54.61 -47.03 73.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.017 0.437 . . . . 0.0 110.526 179.667 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.578 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 18.1 mt -77.58 -15.51 59.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.074 179.685 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.449 HD12 ' HB2' ' A' ' 34' ' ' TYR . 1.3 mm? -90.44 -7.18 53.76 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -179.718 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 52.92 20.29 1.6 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.32 0.581 . . . . 0.0 110.292 -178.879 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.498 HD22 HD22 ' A' ' 23' ' ' LEU . 3.2 tt -109.57 109.35 59.92 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.142 -179.204 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.494 ' O ' HD13 ' A' ' 23' ' ' LEU . 86.0 Cg_exo -47.99 167.92 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.752 2.302 . . . . 0.0 113.672 -178.695 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.65 -3.26 58.83 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.549 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.16 -30.6 30.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.992 0.425 . . . . 0.0 111.05 -178.947 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.498 HD22 HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -106.29 13.12 29.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.479 -179.892 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.437 ' CZ3' ' HG ' ' A' ' 14' ' ' LEU . 54.8 t-105 -53.74 96.79 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.168 179.516 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 159.16 -25.02 0.33 Allowed Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.828 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -77.26 97.28 4.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.8 0.333 . . . . 0.0 111.169 -179.832 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.473 ' CD1' HG13 ' A' ' 66' ' ' VAL . 24.9 t80 -52.48 -37.18 56.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.938 0.399 . . . . 0.0 111.473 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.445 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -63.87 -34.73 90.73 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.874 -0.679 . . . . 0.0 113.477 -179.277 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.412 ' HB3' HD13 ' A' ' 19' ' ' LEU . 29.3 mtt180 -81.23 -44.15 18.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.866 0.333 . . . . 0.0 111.721 -179.167 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 14.8 ptp -63.08 -46.32 87.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.63 0.252 . . . . 0.0 111.044 -179.875 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -64.86 -35.45 81.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.777 0.322 . . . . 0.0 110.509 179.748 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.445 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -61.86 -45.48 93.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 0.0 109.916 179.378 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.404 ' HB1' HD11 ' A' ' 17' ' ' LEU . . . -71.33 -43.33 67.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.577 179.493 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.449 ' HB2' HD12 ' A' ' 17' ' ' LEU . 13.1 t80 -50.76 -50.27 56.22 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-O 120.958 0.408 . . . . 0.0 110.59 179.43 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -66.05 -29.77 70.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.944 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -72.43 -51.02 22.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.106 0.479 . . . . 0.0 110.812 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.578 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 23.0 mm100 -71.39 -17.79 62.39 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.345 -179.65 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.6 m -69.52 -31.89 70.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.988 0.423 . . . . 0.0 110.367 179.253 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.7 mt -69.61 -34.0 73.47 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.119 -179.862 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 4.4 pp -87.08 -15.7 37.76 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.625 0.25 . . . . 0.0 111.278 179.912 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 60.2 mt -95.11 6.16 49.83 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 120.751 0.31 . . . . 0.0 110.853 179.33 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.575 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 20.4 t60 -89.64 143.38 30.34 Favored Pre-proline 0 C--N 1.332 -0.179 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.633 179.838 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.575 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 33.4 Cg_endo -65.33 -10.26 25.31 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.708 2.272 . . . . 0.0 113.494 -179.14 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -85.47 -18.66 32.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.682 0.277 . . . . 0.0 110.945 179.58 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt -116.3 30.93 7.04 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.794 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.48 32.52 57.62 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.706 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -105.8 161.3 14.5 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.533 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.25 147.38 23.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.701 0.286 . . . . 0.0 110.878 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -73.41 -43.15 61.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.566 179.706 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.68 -30.07 71.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.778 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.8 mp -67.24 -49.44 64.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.698 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -25.85 68.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.832 179.588 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -73.3 -33.78 65.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.91 -54.21 38.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.921 -179.89 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.9 tp -58.01 -45.7 86.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.146 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.73 -39.68 81.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.962 -179.837 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 41.6 t -70.11 -46.88 63.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.898 0.38 . . . . 0.0 110.855 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.445 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 0.9 OUTLIER -69.83 -25.57 63.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 179.86 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.622 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 70.6 t-105 -89.61 -11.69 41.92 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.16 179.49 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -79.49 -63.33 2.04 Favored Glycine 0 C--N 1.337 0.6 0 C-N-CA 120.917 -0.659 . . . . 0.0 111.735 179.303 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.54 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -57.07 -51.14 70.47 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 178.832 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.54 ' N ' ' CG2' ' A' ' 61' ' ' THR . 4.1 t80 -42.98 -50.05 5.92 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 113.675 -1.602 . . . . 0.0 109.36 178.033 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.622 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 4.0 ttmt -55.08 -43.78 74.24 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.45 -1.25 . . . . 0.0 111.323 179.417 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.5 m -47.14 -36.64 8.74 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.298 0.57 . . . . 0.0 109.551 179.322 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -85.43 -31.38 22.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.397 178.293 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.578 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 51.6 t -52.37 -34.94 19.23 Favored 'Isoleucine or valine' 0 C--O 1.231 0.122 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.812 179.538 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -69.9 -28.16 65.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.96 0.409 . . . . 0.0 110.287 179.526 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -90.99 -21.66 21.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.603 179.658 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.462 ' CD2' ' HA ' ' A' ' 66' ' ' VAL . 1.1 pp -58.82 -35.83 73.52 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.866 0.365 . . . . 0.0 111.015 -179.762 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.98 1.25 5.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 112.009 -179.511 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.9 mtt -107.04 -29.26 9.52 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.548 179.504 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -64.51 111.69 2.81 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 179.84 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.6 mt -113.09 23.04 13.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.228 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.67 103.17 2.48 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.479 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -160.63 69.92 0.24 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.344 -179.94 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 12.5 p -81.36 121.2 25.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.814 0.34 . . . . 0.0 110.792 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 108.68 9.42 26.79 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.625 -179.85 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -92.24 107.33 19.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.888 0.375 . . . . 0.0 110.785 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.983 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.836 0.35 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -57.65 134.42 56.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 179.926 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.02 88.64 4.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.815 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.7 m -137.66 125.66 31.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.975 179.679 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.772 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.2 pt? -88.59 149.08 23.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.325 -179.612 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.3 p -90.33 -172.18 3.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.353 -179.337 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.6 mmt85 -59.94 -36.45 77.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.349 179.562 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.82 -42.59 99.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.161 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.772 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 40.7 m-20 -63.1 -59.07 5.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.109 -179.902 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.559 ' N ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -59.55 -38.61 81.53 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.77 0.319 . . . . 0.0 110.517 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.403 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 5.2 tp10 -65.18 -27.2 68.53 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.416 179.22 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.9 tpp180 -85.29 -29.48 24.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.39 179.411 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.43 HD21 ' CD2' ' A' ' 62' ' ' PHE . 2.6 tp -70.79 -34.86 72.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.185 179.439 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.8 mt -70.17 -38.65 75.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.837 179.708 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.29 -41.07 83.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.514 179.732 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.581 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 0.4 OUTLIER -79.71 -19.46 48.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.984 179.927 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.401 HD12 ' HB2' ' A' ' 34' ' ' TYR . 1.3 mm? -90.25 -6.24 55.44 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -179.804 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.86 21.47 1.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.428 0.632 . . . . 0.0 109.874 -178.727 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.463 ' CG ' HD21 ' A' ' 23' ' ' LEU . 3.4 tt -109.74 110.87 59.24 Favored Pre-proline 0 N--CA 1.449 -0.487 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.661 -179.054 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.501 ' O ' HD12 ' A' ' 23' ' ' LEU . 79.3 Cg_exo -48.72 169.11 0.09 OUTLIER 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.598 2.199 . . . . 0.0 113.243 -178.863 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.96 -13.05 39.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.741 179.253 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -65.92 -36.29 82.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.071 -179.459 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.501 HD12 ' O ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -100.77 7.89 43.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.159 179.789 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 60.5 t-105 -50.66 99.71 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.174 179.587 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.21 -23.93 0.59 Allowed Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.939 179.857 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.407 ' O ' ' HG2' ' A' ' 30' ' ' MET . 30.4 t0 -79.0 85.91 4.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.665 0.269 . . . . 0.0 111.181 -179.78 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.506 ' CD1' HG13 ' A' ' 66' ' ' VAL . 16.6 t80 -45.0 -40.27 6.33 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.762 -179.84 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.37 -37.8 95.39 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.855 -0.688 . . . . 0.0 113.266 -179.429 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -50.06 17.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.66 0.267 . . . . 0.0 111.53 -179.399 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.407 ' HG2' ' O ' ' A' ' 26' ' ' ASP . 12.4 ptp -57.78 -48.27 80.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.324 -179.504 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -57.85 -37.59 74.16 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.93 0.395 . . . . 0.0 110.158 179.568 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -41.92 98.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.968 179.138 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.57 -38.97 67.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.606 179.425 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.401 ' HB2' HD12 ' A' ' 17' ' ' LEU . 10.1 t80 -54.0 -39.59 66.21 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.491 179.642 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.51 -35.84 65.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.678 179.756 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -60.22 -45.28 93.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.987 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.581 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 18.7 mp0 -83.87 -20.71 32.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.101 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.42 -26.76 61.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.341 179.328 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.6 mt -72.57 -31.43 65.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.381 -179.72 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.9 pp -88.62 -16.5 32.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.676 0.274 . . . . 0.0 110.934 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.7 mt -95.02 1.89 55.22 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 120.863 0.363 . . . . 0.0 110.611 178.848 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.536 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 5.8 t-80 -81.55 134.5 50.99 Favored Pre-proline 0 CA--C 1.529 0.155 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.357 179.629 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.536 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 13.0 Cg_endo -57.05 -16.94 22.73 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.665 2.243 . . . . 0.0 113.277 -179.304 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.37 -20.02 32.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.577 0.227 . . . . 0.0 111.235 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -111.17 30.75 6.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.92 0.39 . . . . 0.0 110.672 179.839 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.05 49.56 74.16 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.596 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -112.28 -178.68 19.87 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.392 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.16 140.1 30.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.331 . . . . 0.0 110.861 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.48 -42.62 18.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.52 -31.68 72.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.444 -179.874 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.1 mt -70.71 -49.31 48.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.29 -34.52 33.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.211 -179.89 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.6 mm100 -74.9 -30.54 61.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.79 179.655 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.38 -57.23 8.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.79 179.821 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.461 HD13 ' HA ' ' A' ' 55' ' ' LEU . 11.3 tp -58.18 -33.22 69.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -62.21 -48.48 79.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.588 179.663 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 57.3 p -66.12 -45.47 80.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.586 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 13.5 mt -68.24 -27.44 66.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.24 -179.784 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.52 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 65.5 t-105 -90.3 -15.76 30.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.276 179.886 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -80.56 -63.81 1.89 Allowed Glycine 0 C--N 1.336 0.544 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.833 179.138 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.627 HG21 ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -52.91 -49.6 65.61 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 178.856 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.627 ' N ' HG21 ' A' ' 61' ' ' THR . 6.7 t80 -44.39 -52.29 7.85 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 113.405 -1.725 . . . . 0.0 109.433 178.023 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.595 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 2.6 ttmt -55.09 -40.67 70.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.124 -1.398 . . . . 0.0 111.205 179.564 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.44 ' HB ' ' O ' ' A' ' 61' ' ' THR . 96.5 m -49.99 -36.19 27.39 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 178.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -85.22 -31.72 23.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.157 -0.928 . . . . 0.0 109.505 178.265 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.595 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 72.8 t -52.05 -38.93 24.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.917 -179.872 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.19 -27.87 69.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.057 0.456 . . . . 0.0 109.877 179.086 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -90.85 -26.85 19.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.062 179.549 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.502 ' CD2' ' HA ' ' A' ' 66' ' ' VAL . 0.4 OUTLIER -71.69 -10.93 60.51 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.509 -179.629 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.65 1.12 17.85 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.896 0.379 . . . . 0.0 111.986 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.6 mtt -125.11 -60.61 1.34 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.301 179.39 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -71.66 134.91 46.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.675 179.67 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.417 HD22 ' N ' ' A' ' 73' ' ' LEU . 4.3 mm? -85.73 87.19 7.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.529 179.816 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 119.66 173.54 15.35 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.396 -179.796 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -126.14 -128.26 3.17 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.753 -179.836 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.1 p -76.41 113.56 14.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.921 0.391 . . . . 0.0 111.13 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 161.64 43.86 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.291 179.938 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -67.73 139.92 56.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.855 0.359 . . . . 0.0 111.072 -179.759 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.823 179.778 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.8 mtm . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 120.805 0.336 . . . . 0.0 111.437 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -77.49 132.05 38.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.961 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.7 mtt-85 -95.33 93.5 7.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.259 179.664 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' ' 4' ' ' VAL . 16.5 m -81.71 121.14 34.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.463 0.649 . . . . 0.0 111.197 -179.666 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.729 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.8 OUTLIER -90.5 140.28 29.89 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.483 179.851 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.4 p -80.67 -178.16 6.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.31 179.673 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.4 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 1.0 OUTLIER -56.32 -38.92 71.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.903 179.955 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.24 -42.44 83.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.458 -179.82 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.729 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 47.2 m-20 -67.01 -52.29 44.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.242 -179.662 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 11' ' ' GLU . 0.5 OUTLIER -57.26 -36.57 71.13 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.969 0.414 . . . . 0.0 110.043 179.428 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.421 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 2.0 mt-10 -69.98 -30.27 67.56 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.771 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.43 ' O ' HD11 ' A' ' 16' ' ' LEU . 25.7 ttp180 -67.85 -42.62 81.08 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.59 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.5 tp -53.39 -36.36 61.36 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.911 178.921 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.417 HD23 ' CD2' ' A' ' 19' ' ' LEU . 13.7 mt -64.63 -50.66 66.24 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.31 179.912 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -48.97 -31.7 7.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.326 -179.476 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.43 HD11 ' O ' ' A' ' 12' ' ' ARG . 6.4 mp -82.8 -35.95 25.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.94 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.408 ' CD1' HD11 ' A' ' 55' ' ' LEU . 9.1 mp -78.19 3.04 16.24 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -179.808 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.85 18.62 3.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.431 0.634 . . . . 0.0 109.765 -178.72 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.502 ' CD1' HD22 ' A' ' 23' ' ' LEU . 5.5 tt -114.6 104.67 54.26 Favored Pre-proline 0 N--CA 1.448 -0.526 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.08 -179.206 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.495 ' O ' HD12 ' A' ' 23' ' ' LEU . 38.6 Cg_exo -58.08 173.91 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.805 2.337 . . . . 0.0 113.346 -178.673 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.87 -11.99 54.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.776 179.029 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.09 -28.06 69.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.961 -179.49 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.532 ' H ' HD12 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -116.32 13.02 15.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.198 179.947 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 44.3 t-105 -52.85 104.89 0.1 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.131 179.312 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 151.19 -32.33 0.95 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.809 179.897 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -73.91 88.24 1.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 0.0 110.978 -179.815 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.475 ' HA ' ' CG ' ' A' ' 30' ' ' MET . 16.0 t80 -46.95 -43.12 18.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.934 -179.69 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.22 -32.94 68.48 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.876 -0.678 . . . . 0.0 113.264 -179.36 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.01 -46.76 12.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.801 0.3 . . . . 0.0 111.634 -179.254 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.475 ' CG ' ' HA ' ' A' ' 27' ' ' PHE . 13.7 ptp -61.98 -44.53 96.55 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.063 -179.805 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -63.7 -43.27 97.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.864 0.364 . . . . 0.0 110.4 179.574 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -60.85 -42.06 97.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.329 179.412 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.82 -31.44 63.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.577 179.634 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.489 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 7.9 t80 -62.39 -46.74 87.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.449 179.6 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.98 -40.6 95.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.83 179.864 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -60.45 -29.76 69.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.715 179.878 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.435 ' HA ' HD22 ' A' ' 40' ' ' LEU . 9.8 mm-40 -83.96 -30.82 25.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.8 m -57.63 -26.29 61.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.132 179.854 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.65 -43.92 21.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.471 -179.56 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.435 HD22 ' HA ' ' A' ' 37' ' ' GLN . 2.1 pp -81.63 -7.55 59.6 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -179.602 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 80.3 mt -91.49 5.78 48.14 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.856 0.36 . . . . 0.0 110.988 179.335 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.513 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 7.1 t-80 -89.99 131.97 37.62 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.285 179.81 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.513 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 11.7 Cg_endo -55.77 -14.99 11.8 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.478 2.119 . . . . 0.0 112.716 -179.815 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -80.1 -22.34 42.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.812 0.339 . . . . 0.0 111.066 179.704 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -109.02 30.06 6.92 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.847 -179.909 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 69.07 45.03 63.88 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.564 179.859 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -122.17 168.04 14.75 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.551 179.867 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.12 158.2 17.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.816 0.341 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -83.24 -50.75 8.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.874 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.2 -23.63 23.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.384 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.406 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 6.3 mp -66.72 -54.25 24.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.346 -179.768 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -52.92 62.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.647 -179.413 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -58.84 -29.08 66.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.625 -179.375 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -81.93 -41.19 21.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 0.0 111.009 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.489 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 36.3 tp -57.03 -49.45 75.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.403 -179.524 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -58.1 -38.15 75.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.371 . . . . 0.0 111.196 -179.789 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.14 -46.22 78.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.179 -179.826 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.476 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -70.86 -25.53 62.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.229 -179.804 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.657 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 69.2 t-105 -88.66 -20.3 25.07 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.4 -179.941 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.51 -63.66 2.43 Favored Glycine 0 C--N 1.333 0.407 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.268 179.296 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.547 ' CG2' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -53.45 -50.47 65.22 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 179.25 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.54 ' N ' ' CG2' ' A' ' 61' ' ' THR . 2.1 t80 -43.68 -51.55 7.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 113.619 -1.628 . . . . 0.0 109.185 177.549 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.657 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 0.4 OUTLIER -56.75 -44.46 81.74 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 113.974 -1.466 . . . . 0.0 111.24 179.235 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.8 m -47.79 -36.31 11.49 Favored 'General case' 0 CA--C 1.521 -0.154 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.232 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.49 -31.97 22.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.576 178.297 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.534 ' HB ' ' HA ' ' A' ' 63' ' ' LYS . 44.9 t -51.86 -43.0 34.21 Favored 'Isoleucine or valine' 0 C--O 1.231 0.094 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.947 179.861 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -28.55 68.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.978 0.418 . . . . 0.0 110.095 179.398 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -91.04 -26.9 18.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.451 179.919 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.515 ' CD2' ' HA ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -67.85 -28.07 67.23 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-O 120.654 0.264 . . . . 0.0 110.867 -179.592 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 53.7 mtp180 -82.86 1.18 40.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.173 0.511 . . . . 0.0 111.443 179.676 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.1 mtt -114.61 -28.5 7.12 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.049 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -89.17 -10.7 46.17 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.495 -179.874 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.6 tp -102.98 -21.43 13.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.753 0.311 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.44 -159.59 37.04 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.518 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -125.85 91.08 0.39 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.486 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -63.36 156.34 26.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.764 0.316 . . . . 0.0 110.953 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 159.87 46.71 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.406 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -74.85 117.56 16.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.807 0.337 . . . . 0.0 110.837 -179.798 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.824 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.995 0.426 . . . . 0.0 111.248 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -171.08 -41.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.532 -179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.67 77.2 1.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.716 179.894 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 31.5 m -139.13 125.16 23.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.046 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.754 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER -89.2 144.58 26.01 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.336 0.588 . . . . 0.0 112.479 179.922 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.427 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 80.8 p -90.38 -178.58 5.39 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.12 -179.613 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.1 -37.18 53.29 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.424 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.56 -47.99 71.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.32 -179.862 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.754 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 39.7 m-20 -68.49 -52.77 28.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.206 -179.641 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.427 ' HG2' ' O ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -56.45 -34.68 67.09 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.052 0.453 . . . . 0.0 109.987 179.561 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.412 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 1.6 mm-40 -68.81 -33.02 73.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.489 178.68 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.5 ttt85 -63.89 -34.85 78.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.764 179.163 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.455 ' HB2' ' HB3' ' A' ' 58' ' ' LEU . 3.7 tp -64.52 -36.1 83.09 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.755 179.091 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.44 HD12 ' CE3' ' A' ' 24' ' ' TRP . 12.1 mt -66.79 -35.35 79.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.96 179.76 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.07 -51.82 68.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.724 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -73.27 -12.16 60.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.75 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.471 HD11 ' HB2' ' A' ' 34' ' ' TYR . 1.6 mm? -90.29 -9.44 47.87 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -179.603 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.428 ' HD3' ' NE2' ' A' ' 37' ' ' GLN . 0.0 OUTLIER 54.3 20.07 2.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.371 0.605 . . . . 0.0 109.823 -178.614 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.438 ' CD1' HD21 ' A' ' 23' ' ' LEU . 2.9 tt -111.9 110.02 54.68 Favored Pre-proline 0 N--CA 1.45 -0.471 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.748 -179.219 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.544 ' O ' HD13 ' A' ' 23' ' ' LEU . 79.0 Cg_exo -47.16 168.0 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.756 2.304 . . . . 0.0 113.375 -178.787 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -90.4 -4.99 56.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.105 179.393 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.29 -24.45 46.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.247 -179.197 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -111.69 11.84 21.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.09 179.794 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.44 ' CE3' HD12 ' A' ' 14' ' ' LEU . 51.2 t-105 -51.26 116.5 2.07 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.383 179.7 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 137.33 -28.21 2.8 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.631 -0.795 . . . . 0.0 113.069 179.598 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.428 ' O ' ' HG2' ' A' ' 30' ' ' MET . 3.7 t70 -72.88 87.04 1.29 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.75 0.309 . . . . 0.0 111.112 -179.584 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.48 ' CE1' HG13 ' A' ' 66' ' ' VAL . 12.5 t80 -45.46 -42.45 10.54 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.819 -179.864 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.3 -36.92 94.06 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.831 -0.699 . . . . 0.0 113.542 -179.159 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.411 ' HB2' ' HB3' ' A' ' 26' ' ' ASP . 0.2 OUTLIER -82.01 -38.55 24.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.858 0.329 . . . . 0.0 111.657 -179.244 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.443 ' CG ' ' HA ' ' A' ' 27' ' ' PHE . 12.0 ptp -69.26 -46.4 67.37 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 121.049 -0.26 . . . . 0.0 110.952 -179.866 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -62.75 -38.7 91.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.355 . . . . 0.0 110.161 179.593 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -60.18 -39.65 87.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.936 179.264 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.09 -40.48 64.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.451 179.304 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.478 ' CE2' ' CB ' ' A' ' 59' ' ' TRP . 15.4 t80 -53.08 -53.47 49.78 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.88 179.692 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.43 ' HE2' ' HD1' ' A' ' 34' ' ' TYR . 6.8 mmpt? -67.07 -27.78 67.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.931 179.762 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.91 -36.19 67.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.717 179.849 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.428 ' NE2' ' HD3' ' A' ' 18' ' ' LYS . 8.0 mm-40 -88.8 -22.94 22.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.975 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.8 m -66.95 -29.59 69.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.687 179.721 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 17.1 mt -70.9 -47.21 60.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.344 -179.73 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.435 HD12 ' HG ' ' A' ' 41' ' ' LEU . 3.1 pp -71.48 -15.68 62.33 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.987 -179.738 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.435 ' HG ' HD12 ' A' ' 40' ' ' LEU . 16.7 mt -95.62 -9.11 33.02 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 120.73 0.3 . . . . 0.0 110.447 178.488 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.486 ' ND1' ' HD2' ' A' ' 43' ' ' PRO . 7.6 t60 -60.74 142.62 91.77 Favored Pre-proline 0 CA--C 1.531 0.231 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.46 179.702 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.486 ' HD2' ' ND1' ' A' ' 42' ' ' HIS . 35.3 Cg_endo -66.65 -10.49 28.23 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.438 2.092 . . . . 0.0 113.273 -179.392 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.94 -20.91 32.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.714 0.292 . . . . 0.0 110.894 179.695 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -107.35 27.98 8.55 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.875 0.369 . . . . 0.0 110.713 179.702 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.19 22.86 72.73 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.541 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -91.24 155.64 23.67 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.535 179.876 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.27 152.13 26.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.769 0.319 . . . . 0.0 110.855 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -78.79 -51.92 9.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.782 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.66 -30.25 8.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.772 -179.817 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.16 -52.19 13.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.322 -179.545 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -35.75 74.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.512 -179.412 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -76.66 -28.44 56.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.117 -179.733 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.58 -46.11 70.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.843 0.354 . . . . 0.0 110.77 179.826 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.428 HD21 ' CE2' ' A' ' 34' ' ' TYR . 5.3 tp -70.96 -33.94 70.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.745 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.86 -31.99 70.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.66 179.757 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.04 -42.25 32.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.468 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 3.2 mt -68.78 -29.03 67.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.884 179.925 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.578 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 69.8 t-105 -90.05 -20.61 23.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.072 179.558 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.43 -62.06 3.0 Favored Glycine 0 C--N 1.336 0.565 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.09 179.341 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.555 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -55.02 -50.17 69.7 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 179.112 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.555 ' N ' ' CG2' ' A' ' 61' ' ' THR . 3.1 t80 -44.71 -51.41 9.3 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 113.366 -1.743 . . . . 0.0 109.43 178.051 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.578 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 1.1 ttmt -55.47 -35.68 65.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.281 -1.327 . . . . 0.0 111.045 179.482 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.3 m -47.77 -39.64 18.56 Favored 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.268 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -85.24 -30.39 23.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.686 178.508 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.551 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 76.5 t -56.16 -51.88 57.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.146 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -54.13 -29.32 44.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.126 0.488 . . . . 0.0 110.296 179.177 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -90.94 -22.19 20.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.639 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.487 HD22 ' HA ' ' A' ' 66' ' ' VAL . 0.4 OUTLIER -65.53 -29.25 69.86 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 120.82 0.343 . . . . 0.0 110.407 -179.564 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.433 ' HA ' ' HA3' ' A' ' 74' ' ' GLY . 2.5 mtp180 -76.44 0.9 18.04 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.833 -179.699 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 18.1 mtt -99.13 -20.74 16.5 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.766 179.648 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -101.21 -63.97 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.97 -11.53 26.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.518 -179.731 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.433 ' HA3' ' HA ' ' A' ' 70' ' ' ARG . . . -81.05 -124.6 0.64 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.592 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -160.58 -126.34 0.83 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.573 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.66 138.62 38.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.952 0.406 . . . . 0.0 110.959 -179.892 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -170.02 -32.41 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.567 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -50.02 166.13 0.07 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.989 0.423 . . . . 0.0 111.362 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.808 179.785 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mmm . . . . . 0 N--CA 1.489 1.498 0 CA-C-O 120.751 0.31 . . . . 0.0 111.259 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -58.93 120.3 8.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.776 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -140.3 79.23 1.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.879 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 24.6 m -139.3 123.11 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.132 0.491 . . . . 0.0 111.623 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.677 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 1.6 pt? -85.48 149.88 25.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.273 179.318 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.7 p -90.11 -178.17 5.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.029 0.442 . . . . 0.0 111.875 -178.544 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.423 ' HA ' ' CG ' ' A' ' 10' ' ' LYS . 31.3 ttm180 -53.99 -33.13 56.19 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.606 179.702 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.36 -45.3 80.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.131 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.677 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 9.1 m-20 -68.15 -55.43 12.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.259 -179.84 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.435 ' N ' HD13 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -55.26 -38.67 68.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.942 0.401 . . . . 0.0 110.544 -179.787 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -72.65 -30.34 64.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.188 179.124 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.79 -31.22 56.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.082 179.432 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.426 ' CD2' ' CD2' ' A' ' 62' ' ' PHE . 2.9 tp -65.01 -35.12 80.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.077 179.252 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.407 HD23 HD21 ' A' ' 19' ' ' LEU . 13.6 mt -66.98 -49.41 65.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.98 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -59.85 -21.97 61.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.156 -179.923 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 37.6 mt -89.95 -34.11 16.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.747 0.308 . . . . 0.0 111.312 -179.866 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.1 mp -84.51 0.67 48.94 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -179.784 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.96 18.05 1.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.205 0.526 . . . . 0.0 110.577 -179.277 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.569 ' HG ' HD12 ' A' ' 23' ' ' LEU . 2.2 tt -99.9 110.71 60.16 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.255 -179.661 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.486 ' HB2' ' CD2' ' A' ' 23' ' ' LEU . 42.1 Cg_exo -50.81 -179.81 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.779 2.319 . . . . 0.0 112.964 -178.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.98 -25.25 24.38 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.517 -179.827 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.47 -10.39 11.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.897 -179.787 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.569 HD12 ' HG ' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -126.17 14.91 7.85 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.746 0.308 . . . . 0.0 110.85 179.708 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 59.3 t-105 -51.62 93.07 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.652 179.57 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.22 -19.4 4.33 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.092 -179.343 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -61.27 82.67 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.763 0.315 . . . . 0.0 110.712 179.737 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -45.39 -32.37 2.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.411 -179.747 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.16 -35.22 64.2 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.93 -179.789 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -85.44 -48.85 8.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.737 0.303 . . . . 0.0 111.406 -179.642 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 8.7 ptp -59.62 -47.7 84.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.94 -179.845 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -64.47 -45.01 89.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.831 0.348 . . . . 0.0 110.529 179.681 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -61.52 -37.39 83.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.264 179.501 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.39 -34.76 47.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.533 179.61 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.422 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 10.2 t80 -58.06 -45.14 87.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.265 179.591 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.8 -34.98 74.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.413 179.663 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -70.5 -34.84 72.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.475 179.619 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.4 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 99.3 mm-40 -83.6 -19.94 34.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.735 179.672 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.6 m -73.54 -34.6 65.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.68 179.673 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.7 mt -65.1 -40.93 95.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.826 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.7 pp -80.59 -12.65 59.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 179.794 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.454 HD23 ' HB3' ' A' ' 51' ' ' LEU . 8.6 mt -95.5 -2.67 48.17 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.269 179.543 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.482 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 4.6 t60 -75.84 141.52 71.94 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.623 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.482 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 26.2 Cg_endo -63.06 -9.67 17.87 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.809 2.339 . . . . 0.0 113.434 -179.327 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.6 -24.33 27.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.643 0.258 . . . . 0.0 111.217 179.906 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.27 24.01 9.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.801 0.334 . . . . 0.0 111.158 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.84 -10.83 61.42 Favored Glycine 0 CA--C 1.52 0.37 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.883 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.36 164.67 29.02 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.583 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.2 154.85 19.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.917 0.389 . . . . 0.0 110.934 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.433 ' CE1' ' HG3' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -83.28 -38.08 22.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.885 -179.98 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.66 -23.0 66.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.457 -179.787 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.454 ' HB3' HD23 ' A' ' 41' ' ' LEU . 2.4 mp -82.27 -51.67 7.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.111 -179.755 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 10.8 tpt -55.21 -45.12 75.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.234 -179.789 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.84 -28.0 68.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.16 -45.74 38.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.422 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 15.0 tp -54.11 -56.18 20.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.231 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -55.55 -39.41 70.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.825 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.08 -33.9 75.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.656 179.777 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.571 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 14.2 mt -83.22 -22.24 33.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.814 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.532 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 66.6 t-105 -89.04 -18.56 27.08 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 179.425 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.422 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -77.43 -60.86 2.73 Favored Glycine 0 C--N 1.337 0.604 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.702 179.037 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.56 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -54.74 -50.99 67.04 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 178.878 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.56 ' N ' ' CG2' ' A' ' 61' ' ' THR . 1.2 t80 -43.78 -50.99 7.59 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 113.42 -1.718 . . . . 0.0 109.534 178.084 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.559 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 2.9 ttmt -55.96 -39.9 72.44 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.199 -1.364 . . . . 0.0 111.098 179.783 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.7 m -46.91 -38.49 10.58 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.275 0.56 . . . . 0.0 109.533 179.177 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -85.5 -31.61 22.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.7 178.547 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.559 ' HB ' ' HA ' ' A' ' 63' ' ' LYS . 50.3 t -53.44 -47.05 59.46 Favored 'Isoleucine or valine' 0 C--O 1.231 0.083 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -60.19 -30.14 69.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.727 179.798 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 43.4 m-20 -90.65 -22.29 21.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.654 -179.832 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.406 HD21 ' HA ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -57.77 -31.68 66.76 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.837 0.351 . . . . 0.0 110.722 -179.334 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.9 mtp-105 -82.98 1.47 39.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.728 -179.901 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -105.11 -25.67 12.41 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.999 179.906 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -75.65 137.57 40.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.921 179.906 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.3 mp -108.53 26.74 10.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.185 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -88.17 147.07 20.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.527 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -159.52 -133.43 1.51 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.547 -179.939 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.5 t -124.1 -53.79 1.72 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.796 0.331 . . . . 0.0 110.983 179.883 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 61.05 -99.25 0.19 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.62 179.849 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -87.33 115.27 24.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.924 0.392 . . . . 0.0 111.096 -179.735 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.885 179.778 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.3 mtm . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 120.881 0.372 . . . . 0.0 111.326 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -74.57 128.08 34.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.884 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -94.77 88.6 5.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.782 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.431 ' O ' HG21 ' A' ' 4' ' ' VAL . 18.9 m -133.18 125.79 51.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.229 0.538 . . . . 0.0 111.277 179.769 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.805 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.4 pt? -90.32 148.79 22.64 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.917 -179.875 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.7 p -89.09 -171.57 3.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.234 -179.365 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.85 -38.07 81.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.389 179.712 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.99 -45.69 92.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.201 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.805 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 3.5 m-20 -60.16 -58.79 7.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.961 -179.944 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.536 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -58.6 -39.31 80.06 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.862 0.363 . . . . 0.0 110.442 -179.922 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.488 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 3.9 mm-40 -67.22 -36.43 81.66 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.418 179.603 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -76.41 -34.79 58.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.003 179.436 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.402 HD23 ' CD2' ' A' ' 62' ' ' PHE . 2.5 tp -60.78 -39.22 88.01 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.678 179.051 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.485 ' CD2' HD21 ' A' ' 19' ' ' LEU . 26.8 mt -64.14 -45.25 89.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.666 179.701 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -57.02 -25.63 58.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mt -90.06 -30.68 17.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.721 179.801 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 mp -85.4 1.34 49.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.995 179.575 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.95 20.52 1.69 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.362 0.601 . . . . 0.0 109.748 -178.656 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.706 HD13 ' HG3' ' A' ' 29' ' ' ARG . 4.4 tt -107.77 108.98 62.12 Favored Pre-proline 0 N--CA 1.449 -0.504 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.204 -179.003 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.498 ' O ' HD11 ' A' ' 23' ' ' LEU . 53.5 Cg_exo -51.66 170.91 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.632 2.221 . . . . 0.0 113.009 -179.032 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.406 ' HA ' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -89.74 -7.07 55.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.07 179.236 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.8 tm0? -73.34 -32.24 64.44 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 -179.365 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.498 HD11 ' O ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -104.06 13.12 33.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.077 179.836 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.536 ' CH2' ' HB2' ' A' ' 10' ' ' LYS . 62.8 t-105 -54.47 100.52 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.082 179.422 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.28 -26.22 0.88 Allowed Glycine 0 CA--C 1.52 0.386 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.903 179.827 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.402 ' O ' ' HG2' ' A' ' 30' ' ' MET . 17.4 t70 -79.81 95.39 6.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.689 0.281 . . . . 0.0 111.026 -179.762 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.531 ' HA ' ' CG ' ' A' ' 30' ' ' MET . 42.6 t80 -52.14 -34.36 44.24 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.734 -179.6 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.01 -29.15 72.45 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.701 -0.761 . . . . 0.0 113.101 -179.33 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.706 ' HG3' HD13 ' A' ' 19' ' ' LEU . 3.9 tpt180 -87.11 -28.22 22.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.78 0.29 . . . . 0.0 111.75 -179.415 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.531 ' CG ' ' HA ' ' A' ' 27' ' ' PHE . 14.9 ptp -79.15 -42.47 26.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.682 -0.236 . . . . 0.0 110.885 179.867 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -68.9 -41.63 77.96 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 179.492 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -62.53 -42.24 99.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.053 0.454 . . . . 0.0 109.921 179.045 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.34 -37.02 63.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.564 179.553 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.459 ' CE2' ' CB ' ' A' ' 59' ' ' TRP . 12.5 t80 -60.69 -53.13 61.15 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.49 179.627 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.8 -36.53 81.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.36 179.64 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.38 -27.36 67.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.634 179.693 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.421 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 86.2 mm-40 -88.81 -22.7 23.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.682 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.2 m -71.21 -24.72 62.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.494 179.313 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.508 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 3.3 mt -74.28 -22.52 59.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.563 -179.706 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 1.4 pp -89.54 -24.36 21.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.713 0.292 . . . . 0.0 110.96 -179.842 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.5 mt -95.09 12.87 27.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.12 179.549 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.482 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 34.9 t-80 -82.96 132.16 51.84 Favored Pre-proline 0 CA--C 1.53 0.203 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.765 179.94 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.482 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 78.0 Cg_exo -41.91 -30.7 1.24 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.238 2.625 . . . . 0.0 114.422 -179.097 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.18 -18.31 50.02 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.123 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.508 ' HG3' ' O ' ' A' ' 39' ' ' LEU . 11.8 mmtm -109.49 31.17 5.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.974 0.416 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 60.43 73.93 0.43 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.452 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -138.71 154.0 22.91 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.581 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.23 149.89 22.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.772 0.32 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -75.44 -43.64 48.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.711 179.821 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.47 -23.93 18.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.252 179.853 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.71 -49.17 7.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -42.43 81.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.207 -179.851 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -30.67 64.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.129 -179.925 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -69.64 -47.35 63.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.667 179.779 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 58.4 tp -62.98 -41.76 99.65 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.738 179.9 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -63.22 -41.34 99.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.674 179.698 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.0 p -65.52 -28.2 69.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.563 179.677 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.611 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 10.3 mt -83.02 -26.33 31.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.56 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 69.7 t-105 -89.0 -15.97 32.84 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 110.027 -0.361 . . . . 0.0 110.027 179.428 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -79.07 -62.4 2.22 Favored Glycine 0 C--N 1.335 0.511 0 C-N-CA 121.017 -0.611 . . . . 0.0 111.829 179.086 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.615 HG23 ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -54.63 -50.29 68.47 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 178.991 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.615 ' N ' HG23 ' A' ' 61' ' ' THR . 1.7 t80 -44.59 -49.32 10.23 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 113.584 -1.644 . . . . 0.0 109.644 178.15 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.56 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 2.2 ttmt -60.24 -37.23 79.71 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.171 -1.377 . . . . 0.0 111.218 179.809 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 43.1 m -46.05 -38.42 7.9 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-O 121.416 0.627 . . . . 0.0 109.492 179.28 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -85.56 -32.5 22.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.762 178.584 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.525 ' HB ' ' HA ' ' A' ' 63' ' ' LYS . 70.8 t -55.68 -47.97 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.935 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -55.16 -29.58 58.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.963 0.411 . . . . 0.0 110.293 179.423 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -90.88 -22.02 21.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.636 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.458 ' CD2' ' HA ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -68.28 -14.2 62.81 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 120.753 0.311 . . . . 0.0 110.927 -179.601 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -90.83 1.37 57.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.058 0.456 . . . . 0.0 111.323 179.674 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 32.5 mtm -120.42 -26.53 5.38 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.525 -0.762 . . . . 0.0 111.319 -179.864 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -100.95 -24.63 14.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.838 0.352 . . . . 0.0 111.069 -179.937 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 69' ' ' LEU . 4.0 mp -116.1 -30.94 5.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.933 179.777 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.52 -124.13 6.54 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.468 179.94 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -124.95 -168.83 12.86 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.402 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.8 m -76.96 120.03 21.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.883 0.373 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -113.89 -41.02 0.94 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.486 -179.938 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -75.4 99.44 4.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.889 0.376 . . . . 0.0 110.697 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.79 -179.891 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mpp? . . . . . 0 N--CA 1.486 1.341 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -71.86 144.35 49.1 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.972 0.415 . . . . 0.0 110.945 179.885 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -95.15 88.21 5.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.756 -179.824 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.412 ' O ' HG23 ' A' ' 4' ' ' VAL . 19.3 m -134.13 128.07 52.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 121.178 0.514 . . . . 0.0 111.652 -179.912 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.731 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.6 pt? -82.41 151.9 26.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.041 179.905 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.8 p -90.39 -178.99 5.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.459 -179.21 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.432 ' HG2' ' N ' ' A' ' 8' ' ' ALA . 0.1 OUTLIER -55.47 -30.95 61.52 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.889 179.525 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.432 ' N ' ' HG2' ' A' ' 7' ' ' ARG . . . -67.99 -43.58 78.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.126 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.731 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 2.0 m-20 -66.49 -57.85 6.47 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.24 -179.815 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.641 ' N ' HD11 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -54.13 -45.0 71.82 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.155 -179.223 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.467 ' HG2' ' CD ' ' A' ' 10' ' ' LYS . 3.8 mm-40 -67.86 -28.2 67.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.914 0.387 . . . . 0.0 110.148 179.075 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.0 ttt-85 -77.77 -42.32 34.42 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.415 179.596 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.469 HD21 ' CD2' ' A' ' 62' ' ' PHE . 0.8 OUTLIER -59.19 -30.38 68.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.11 179.222 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.411 ' CD2' HD22 ' A' ' 19' ' ' LEU . 13.6 mt -66.9 -37.85 85.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.641 179.503 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -59.72 -42.44 93.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.433 179.835 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.401 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 2.3 mp -78.61 -16.93 56.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.87 179.59 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.449 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -89.99 -6.58 55.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.666 -179.964 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 51.89 21.65 1.52 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.453 0.644 . . . . 0.0 109.863 -178.83 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.519 HD13 HD23 ' A' ' 23' ' ' LEU . 4.6 tt -112.58 113.12 50.83 Favored Pre-proline 0 N--CA 1.45 -0.455 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.375 -179.09 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.517 ' O ' HD13 ' A' ' 23' ' ' LEU . 78.4 Cg_exo -47.07 166.08 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.761 2.307 . . . . 0.0 113.458 -178.567 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.17 -3.86 57.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.097 179.705 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -77.64 -34.01 53.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.055 0.455 . . . . 0.0 110.997 -179.252 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.519 HD23 HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -101.16 11.6 39.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.478 -179.817 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.454 ' CZ2' ' CE1' ' A' ' 62' ' ' PHE . 41.9 t-105 -52.13 101.99 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.326 179.713 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.23 -25.06 0.69 Allowed Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.614 -0.803 . . . . 0.0 113.118 179.745 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.449 ' HB3' ' HB2' ' A' ' 29' ' ' ARG . 6.0 t70 -78.4 86.21 4.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.694 0.247 . . . . 0.0 111.295 -179.595 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.426 ' CD1' ' CG1' ' A' ' 66' ' ' VAL . 13.2 t80 -44.28 -44.76 8.25 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.635 -179.908 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.93 -35.71 87.82 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.749 -179.793 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.449 ' HB2' ' HB3' ' A' ' 26' ' ' ASP . 10.0 ttt-85 -75.57 -54.08 7.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.751 0.31 . . . . 0.0 111.182 -179.625 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.401 ' HG2' ' O ' ' A' ' 26' ' ' ASP . 13.0 ptp -58.22 -45.93 86.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.241 -179.713 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -58.68 -37.55 76.28 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.901 0.381 . . . . 0.0 110.302 179.63 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.61 -40.94 98.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.211 179.346 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.94 -38.04 66.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.459 179.5 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.464 ' CE2' HD21 ' A' ' 55' ' ' LEU . 10.8 t80 -54.85 -42.39 71.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.389 179.636 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -71.66 -29.91 65.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.793 179.815 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -66.12 -44.55 83.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.99 -179.712 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 2.9 mm-40 -84.92 -21.55 29.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.107 -179.948 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.9 -30.61 70.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.899 179.801 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 mt -73.79 -31.71 63.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.054 -179.785 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.7 pp -89.32 -12.89 39.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.612 -179.732 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 20.7 mt -94.88 -11.01 29.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.775 0.321 . . . . 0.0 110.814 179.577 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.569 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 3.2 t-80 -66.05 132.77 94.65 Favored Pre-proline 0 C--N 1.332 -0.173 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.508 179.594 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.569 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 19.6 Cg_endo -58.3 -12.42 13.29 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.629 2.22 . . . . 0.0 113.164 -179.59 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.46 -21.71 35.49 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.656 0.265 . . . . 0.0 111.295 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -109.98 28.88 8.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.85 0.357 . . . . 0.0 111.103 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.98 -11.03 63.59 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 0.0 113.039 179.69 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.94 163.37 29.64 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.631 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.32 154.67 19.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.746 0.308 . . . . 0.0 110.643 179.94 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.444 ' CD2' ' HG3' ' A' ' 43' ' ' PRO . 0.5 OUTLIER -80.2 -41.82 24.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.853 179.941 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.52 -27.94 68.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.492 -179.791 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.71 -51.11 10.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.013 -179.878 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.8 tpt -57.74 -43.46 85.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.086 -179.899 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -67.0 -33.19 75.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.761 -179.936 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -60.24 -51.25 70.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 -179.925 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.464 HD21 ' CE2' ' A' ' 34' ' ' TYR . 4.7 tp -64.03 -35.99 82.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.941 -179.906 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -61.76 -30.56 70.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.953 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.33 -34.51 25.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.236 -179.872 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.607 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 8.0 mt -77.23 -22.8 51.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.333 -179.659 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.573 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 63.5 t-105 -90.5 -21.48 21.81 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.831 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.493 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -76.66 -61.47 2.73 Favored Glycine 0 C--N 1.336 0.573 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 178.907 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.745 HG23 ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -52.58 -49.85 64.17 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 178.628 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.745 ' N ' HG23 ' A' ' 61' ' ' THR . 4.1 t80 -45.34 -50.67 11.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 113.404 -1.725 . . . . 0.0 109.444 178.016 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.573 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 1.4 ttmt -56.78 -34.67 67.85 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.143 -1.389 . . . . 0.0 111.097 179.414 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.441 ' HB ' ' O ' ' A' ' 61' ' ' THR . 66.8 m -49.58 -36.2 23.21 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.887 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -85.73 -30.66 22.93 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.421 178.319 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.553 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 87.0 t -60.86 -35.23 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.028 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -65.17 -37.37 87.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.867 179.856 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -90.25 -13.03 36.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.584 -179.903 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.486 HD22 ' HA ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -62.14 -34.77 77.01 Favored 'General case' 0 N--CA 1.461 0.104 0 CA-C-O 121.029 0.442 . . . . 0.0 110.049 -179.753 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -84.57 1.31 46.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.35 179.853 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.1 mtt -104.1 -21.1 13.63 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.154 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -90.45 -73.0 0.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.859 0.361 . . . . 0.0 110.822 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 17.1 tp -121.21 -37.86 2.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.997 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.75 41.14 8.39 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.48 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.21 -128.69 8.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.463 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.2 p -78.42 142.98 37.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.876 0.37 . . . . 0.0 110.817 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -71.68 -38.39 61.23 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.536 179.877 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -89.12 110.02 20.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.785 0.326 . . . . 0.0 110.97 -179.931 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.452 179.68 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.789 0.328 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.418 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 17.2 p-10 -143.39 -56.72 0.4 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.004 179.902 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.95 67.6 1.33 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.898 0.38 . . . . 0.0 110.521 179.824 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.517 ' O ' HG21 ' A' ' 4' ' ' VAL . 24.8 m -138.21 120.18 18.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.375 0.607 . . . . 0.0 111.257 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.744 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 1.3 pt? -84.04 140.39 31.88 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.618 179.877 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.2 p -76.08 -178.22 4.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.165 -179.174 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -56.28 -37.46 69.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.815 179.822 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.45 -44.03 88.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.416 -179.792 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.744 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 8.7 m-20 -63.46 -58.18 7.85 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.24 -179.676 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.503 ' N ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -58.28 -32.83 68.78 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.863 0.363 . . . . 0.0 110.655 -179.825 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.418 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.8 OUTLIER -71.67 -33.37 68.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.988 179.098 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.9 -31.4 69.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.274 179.46 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.512 ' HB2' ' HB3' ' A' ' 58' ' ' LEU . 5.5 tp -65.75 -37.28 85.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.956 179.229 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.486 ' HG ' ' CZ3' ' A' ' 24' ' ' TRP . 11.5 mt -66.85 -39.58 87.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.117 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -54.26 -52.98 59.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.817 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.424 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 3.4 mt -73.84 -12.14 60.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.044 179.745 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.459 ' N ' HD21 ' A' ' 17' ' ' LEU . 1.3 mm? -90.2 -12.91 36.69 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -179.581 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 54.07 20.87 2.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.471 0.653 . . . . 0.0 109.915 -178.542 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.527 ' CD2' HD21 ' A' ' 23' ' ' LEU . 2.4 tt -106.95 112.87 63.12 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.17 -178.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.419 ' HB2' HD12 ' A' ' 23' ' ' LEU . 71.9 Cg_exo -48.33 168.52 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.701 2.267 . . . . 0.0 113.522 -178.816 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.479 ' HG3' ' CD1' ' A' ' 14' ' ' LEU . 1.5 ttp180 -88.49 -2.8 58.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.577 179.856 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.49 -28.08 25.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.927 0.394 . . . . 0.0 111.595 -178.558 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.527 HD21 ' CD2' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -108.98 16.37 22.67 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.039 179.964 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.486 ' CZ3' ' HG ' ' A' ' 14' ' ' LEU . 65.9 t-105 -51.29 -20.38 1.64 Allowed 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.569 179.37 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.31 -11.39 80.66 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 113.041 179.94 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -83.5 121.18 26.86 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.764 0.316 . . . . 0.0 111.022 -179.921 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -78.42 -45.23 22.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.304 -179.83 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.471 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -59.69 -31.77 72.25 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.921 -179.572 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.55 -48.05 17.95 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -179.363 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.5 ptp -56.36 -53.47 57.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.452 -179.406 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -61.08 -34.68 75.31 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.743 0.306 . . . . 0.0 110.757 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.471 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -59.21 -45.01 92.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.658 179.697 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.95 -36.68 69.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.807 179.792 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.473 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 8.0 t80 -54.54 -42.93 71.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.579 179.729 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -80.35 -33.44 37.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.74 179.777 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.9 tm0? -66.7 -36.22 81.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.872 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 62.5 mm-40 -87.22 -20.93 26.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.219 -179.89 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 85.2 p -67.44 -28.09 67.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.915 0.388 . . . . 0.0 110.613 179.416 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 17.2 mt -73.19 -33.9 65.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.189 -179.867 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.421 ' CD1' ' HG ' ' A' ' 41' ' ' LEU . 2.9 pp -84.97 -15.68 43.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.761 0.315 . . . . 0.0 110.955 179.68 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.54 HD21 ' HB3' ' A' ' 51' ' ' LEU . 12.7 mt -95.49 -14.29 23.81 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 120.927 0.394 . . . . 0.0 110.534 178.673 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.592 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 4.3 t-80 -61.22 147.16 87.41 Favored Pre-proline 0 CA--C 1.531 0.223 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.675 179.899 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.592 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 39.0 Cg_endo -67.95 -9.1 24.59 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.617 2.211 . . . . 0.0 113.357 -179.366 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.437 ' HB2' ' HD1' ' A' ' 42' ' ' HIS . 0.3 OUTLIER -89.74 -23.75 21.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.676 0.274 . . . . 0.0 110.915 179.835 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.525 ' HD3' ' HB3' ' A' ' 42' ' ' HIS . 0.1 OUTLIER -101.83 30.93 4.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.818 0.342 . . . . 0.0 110.842 179.931 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.29 23.76 68.49 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.757 179.868 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -91.69 169.45 32.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.351 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.2 m -90.38 145.28 25.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 110.791 179.883 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.407 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 5.1 p-80 -80.51 -40.87 25.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.037 -179.796 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.1 -37.63 67.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.477 -179.85 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.54 ' HB3' HD21 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -66.97 -51.56 53.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.232 -179.782 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -31.72 39.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.226 -179.619 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 15.7 mm-40 -74.83 -38.22 62.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.972 0.415 . . . . 0.0 110.698 179.841 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -36.81 85.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.822 179.919 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.473 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 11.2 tp -67.49 -46.67 72.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -59.54 -24.42 63.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.167 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.8 t -78.46 -39.13 39.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.515 -179.627 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.59 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 81.0 mt -78.18 -28.39 48.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.294 -179.607 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.523 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 73.1 t-105 -83.45 -25.4 31.24 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.538 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.84 -61.65 3.96 Favored Glycine 0 C--N 1.334 0.448 0 C-N-CA 120.957 -0.639 . . . . 0.0 111.894 179.066 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.639 HG22 ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -51.96 -49.54 62.99 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 178.58 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.639 ' N ' HG22 ' A' ' 61' ' ' THR . 1.2 t80 -46.97 -51.32 17.33 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 113.089 -1.869 . . . . 0.0 109.411 177.728 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.57 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 0.3 OUTLIER -60.18 -32.89 71.5 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 114.247 -1.342 . . . . 0.0 111.061 179.818 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.422 ' HB ' ' O ' ' A' ' 61' ' ' THR . 38.9 m -49.13 -37.36 21.7 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.056 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -85.6 -30.96 22.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.648 178.075 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.57 ' HB ' ' HA ' ' A' ' 63' ' ' LYS . 96.7 t -59.82 -35.86 62.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.929 179.868 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -67.7 -38.85 84.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.0 p30 -89.3 -14.87 34.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.593 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.523 ' CD2' ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -58.54 -39.51 80.39 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.828 0.347 . . . . 0.0 110.486 179.937 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 63.3 mtm-85 -73.51 0.79 11.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.854 -179.82 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 27.6 mtp -108.45 -27.56 9.86 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.735 179.8 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -91.13 90.06 7.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.15 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.445 ' HG ' ' N ' ' A' ' 74' ' ' GLY . 1.4 pt? -141.91 -38.39 0.39 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 179.714 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.445 ' N ' ' HG ' ' A' ' 73' ' ' LEU . . . -140.53 -166.39 10.66 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.344 179.856 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 117.21 -99.66 0.84 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.587 179.903 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.1 p -72.2 113.65 9.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.761 0.315 . . . . 0.0 110.84 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -74.68 -43.64 28.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.299 179.841 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -89.63 98.92 12.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.844 0.354 . . . . 0.0 110.722 179.934 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.85 -179.955 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.789 0.328 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.418 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 17.2 p-10 -143.39 -56.72 0.4 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.004 179.902 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.95 67.6 1.33 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.898 0.38 . . . . 0.0 110.521 179.824 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.517 ' O ' HG21 ' A' ' 4' ' ' VAL . 24.8 m -138.21 120.18 18.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.375 0.607 . . . . 0.0 111.257 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.744 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 1.3 pt? -84.04 140.39 31.88 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.618 179.877 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.2 p -76.08 -178.22 4.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.165 -179.174 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -56.28 -37.46 69.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.815 179.822 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.45 -44.03 88.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.416 -179.792 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.744 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 8.7 m-20 -63.46 -58.18 7.85 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.24 -179.676 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.503 ' N ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -58.28 -32.83 68.78 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.863 0.363 . . . . 0.0 110.655 -179.825 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.418 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.8 OUTLIER -71.67 -33.37 68.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.988 179.098 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.9 -31.4 69.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.274 179.46 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.512 ' HB2' ' HB3' ' A' ' 58' ' ' LEU . 5.5 tp -65.75 -37.28 85.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.956 179.229 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.486 ' HG ' ' CZ3' ' A' ' 24' ' ' TRP . 11.5 mt -66.85 -39.58 87.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.117 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -54.26 -52.98 59.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.817 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.424 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 3.4 mt -73.84 -12.14 60.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.044 179.745 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.459 ' N ' HD21 ' A' ' 17' ' ' LEU . 1.3 mm? -90.2 -12.91 36.69 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -179.581 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 54.07 20.87 2.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.471 0.653 . . . . 0.0 109.915 -178.542 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.527 ' CD2' HD21 ' A' ' 23' ' ' LEU . 2.4 tt -106.95 112.87 63.12 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.17 -178.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.419 ' HB2' HD12 ' A' ' 23' ' ' LEU . 71.9 Cg_exo -48.33 168.52 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.701 2.267 . . . . 0.0 113.522 -178.816 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.479 ' HG3' ' CD1' ' A' ' 14' ' ' LEU . 1.5 ttp180 -88.49 -2.8 58.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.577 179.856 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.49 -28.08 25.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.927 0.394 . . . . 0.0 111.595 -178.558 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.527 HD21 ' CD2' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -108.98 16.37 22.67 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.039 179.964 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.486 ' CZ3' ' HG ' ' A' ' 14' ' ' LEU . 65.9 t-105 -51.29 -20.38 1.64 Allowed 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.569 179.37 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.31 -11.39 80.66 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 113.041 179.94 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -83.5 121.18 26.86 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.764 0.316 . . . . 0.0 111.022 -179.921 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -78.42 -45.23 22.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.304 -179.83 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.471 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -59.69 -31.77 72.25 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.921 -179.572 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.55 -48.05 17.95 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -179.363 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.5 ptp -56.36 -53.47 57.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.452 -179.406 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -61.08 -34.68 75.31 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.743 0.306 . . . . 0.0 110.757 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.471 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -59.21 -45.01 92.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.658 179.697 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.95 -36.68 69.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.807 179.792 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.473 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 8.0 t80 -54.54 -42.93 71.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.579 179.729 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -80.35 -33.44 37.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.74 179.777 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.9 tm0? -66.7 -36.22 81.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.872 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 62.5 mm-40 -87.22 -20.93 26.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.219 -179.89 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 85.2 p -67.44 -28.09 67.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.915 0.388 . . . . 0.0 110.613 179.416 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 17.2 mt -73.19 -33.9 65.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.189 -179.867 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.421 ' CD1' ' HG ' ' A' ' 41' ' ' LEU . 2.9 pp -84.97 -15.68 43.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.761 0.315 . . . . 0.0 110.955 179.68 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.54 HD21 ' HB3' ' A' ' 51' ' ' LEU . 12.7 mt -95.49 -14.29 23.81 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 120.927 0.394 . . . . 0.0 110.534 178.673 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.592 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 4.3 t-80 -61.22 147.16 87.41 Favored Pre-proline 0 CA--C 1.531 0.223 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.675 179.899 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.592 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 39.0 Cg_endo -67.95 -9.1 24.59 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.617 2.211 . . . . 0.0 113.357 -179.366 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.437 ' HB2' ' HD1' ' A' ' 42' ' ' HIS . 0.3 OUTLIER -89.74 -23.75 21.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.676 0.274 . . . . 0.0 110.915 179.835 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.525 ' HD3' ' HB3' ' A' ' 42' ' ' HIS . 0.1 OUTLIER -101.83 30.93 4.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.818 0.342 . . . . 0.0 110.842 179.931 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.29 23.76 68.49 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.757 179.868 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -91.69 169.45 32.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.351 179.912 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.2 m -90.38 145.28 25.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 110.791 179.883 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.407 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 5.1 p-80 -80.51 -40.87 25.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.037 -179.796 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.1 -37.63 67.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.477 -179.85 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.54 ' HB3' HD21 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -66.97 -51.56 53.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.232 -179.782 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -31.72 39.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.226 -179.619 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 15.7 mm-40 -74.83 -38.22 62.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.972 0.415 . . . . 0.0 110.698 179.841 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -36.81 85.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.822 179.919 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.473 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 11.2 tp -67.49 -46.67 72.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -59.54 -24.42 63.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.167 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.8 t -78.46 -39.13 39.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.515 -179.627 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.59 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 81.0 mt -78.18 -28.39 48.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.294 -179.607 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.523 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 73.1 t-105 -83.45 -25.4 31.24 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.538 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.84 -61.65 3.96 Favored Glycine 0 C--N 1.334 0.448 0 C-N-CA 120.957 -0.639 . . . . 0.0 111.894 179.066 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.639 HG22 ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -51.96 -49.54 62.99 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 178.58 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.639 ' N ' HG22 ' A' ' 61' ' ' THR . 1.2 t80 -46.97 -51.32 17.33 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 113.089 -1.869 . . . . 0.0 109.411 177.728 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.57 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 0.3 OUTLIER -60.18 -32.89 71.5 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 114.247 -1.342 . . . . 0.0 111.061 179.818 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.422 ' HB ' ' O ' ' A' ' 61' ' ' THR . 38.9 m -49.13 -37.36 21.7 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.056 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -85.6 -30.96 22.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.648 178.075 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.57 ' HB ' ' HA ' ' A' ' 63' ' ' LYS . 96.7 t -59.82 -35.86 62.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.929 179.868 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -67.7 -38.85 84.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.0 p30 -89.3 -14.87 34.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.593 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.523 ' CD2' ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -58.54 -39.51 80.39 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.828 0.347 . . . . 0.0 110.486 179.937 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 63.3 mtm-85 -73.51 0.79 11.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.854 -179.82 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 27.6 mtp -108.45 -27.56 9.86 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.735 179.8 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -91.13 90.06 7.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.15 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.445 ' HG ' ' N ' ' A' ' 74' ' ' GLY . 1.4 pt? -141.91 -38.39 0.39 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 179.714 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.445 ' N ' ' HG ' ' A' ' 73' ' ' LEU . . . -140.53 -166.39 10.66 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.344 179.856 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 117.21 -99.66 0.84 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.587 179.903 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.1 p -72.2 113.65 9.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.761 0.315 . . . . 0.0 110.84 -179.934 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -74.68 -43.64 28.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.299 179.841 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -89.63 98.92 12.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.844 0.354 . . . . 0.0 110.722 179.934 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.85 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.4 mtt . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.754 0.312 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -64.99 140.14 58.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -106.27 75.72 1.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.782 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 19.6 m -121.95 129.16 75.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 121.16 0.505 . . . . 0.0 111.138 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.799 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.5 pt? -87.46 151.22 23.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.232 -179.721 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.1 p -90.05 -176.9 5.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.557 -179.17 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -33.42 64.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.794 179.844 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.78 -46.52 71.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.458 -179.731 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.799 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 37.5 m-20 -59.52 -59.77 4.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.23 -179.699 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.578 ' N ' HD11 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -53.39 -37.7 62.7 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 121.119 0.485 . . . . 0.0 110.141 179.918 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.413 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 4.8 tt0 -70.91 -34.7 71.8 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.931 178.949 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.66 -40.25 63.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.608 179.651 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.43 HD21 ' CD2' ' A' ' 62' ' ' PHE . 2.6 tp -58.66 -40.57 83.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.694 179.666 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.459 ' CD1' ' HG3' ' A' ' 21' ' ' ARG . 48.8 mt -67.23 -41.82 85.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.144 179.933 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -54.55 -29.17 50.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.942 0.401 . . . . 0.0 110.45 179.757 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 mt -90.11 -23.98 21.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.945 179.673 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.9 mp -89.96 -2.41 58.15 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 179.823 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.406 ' HD3' ' OE1' ' A' ' 37' ' ' GLN . 0.3 OUTLIER 52.83 20.52 1.63 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.411 0.624 . . . . 0.0 110.018 -178.477 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.476 ' CD1' HD21 ' A' ' 23' ' ' LEU . 3.0 tt -106.99 108.57 62.23 Favored Pre-proline 0 N--CA 1.448 -0.55 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.843 -179.418 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.431 ' O ' HD12 ' A' ' 23' ' ' LEU . 78.4 Cg_exo -49.26 174.34 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 123.166 2.578 . . . . 0.0 114.207 -178.471 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.459 ' HG3' ' CD1' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -89.8 -15.07 33.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.643 179.067 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -66.67 -34.54 78.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.59 -178.709 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.476 HD21 ' CD1' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -103.14 8.37 38.64 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.205 -179.952 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.43 ' CH2' ' HB2' ' A' ' 10' ' ' LYS . 54.5 t-105 -53.88 90.31 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.241 179.438 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 169.09 -32.1 0.17 Allowed Glycine 0 CA--C 1.518 0.25 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.83 179.892 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -80.34 91.44 5.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.84 0.352 . . . . 0.0 111.153 -179.679 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.462 ' CE1' HG12 ' A' ' 66' ' ' VAL . 42.9 t80 -50.44 -39.55 47.89 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.458 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.64 -29.56 72.31 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.81 -179.782 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -83.14 -49.54 9.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.653 0.263 . . . . 0.0 111.212 -179.685 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -39.03 89.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.265 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -65.08 -44.51 88.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.802 0.334 . . . . 0.0 110.633 179.714 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -62.06 -39.72 93.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.351 179.494 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.93 -28.77 63.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.656 179.562 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -60.48 -45.9 92.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.638 179.671 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -71.84 -27.97 63.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.97 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -72.53 -39.31 67.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.795 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.448 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 6.6 mm100 -75.03 -19.74 59.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.933 179.677 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.1 m -71.26 -30.01 65.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.784 179.856 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.9 mt -71.77 -31.95 67.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.32 -179.77 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 1.5 pp -89.05 -17.1 30.02 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.409 -179.668 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.9 mt -95.28 9.45 39.77 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.755 0.312 . . . . 0.0 110.844 178.926 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.505 ' HD2' ' HB2' ' A' ' 44' ' ' ASP . 37.4 t60 -88.76 132.09 39.57 Favored Pre-proline 0 CA--C 1.53 0.189 0 CA-C-O 120.915 0.388 . . . . 0.0 111.043 -179.739 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_exo -43.59 -31.38 3.19 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 123.17 2.58 . . . . 0.0 113.919 -179.474 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.505 ' HB2' ' HD2' ' A' ' 42' ' ' HIS . 0.8 OUTLIER -78.95 -19.29 52.09 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -179.287 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -114.87 31.06 6.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.879 0.371 . . . . 0.0 110.66 179.692 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 62.98 102.24 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.421 -179.821 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -175.78 164.57 34.8 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.444 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.05 153.88 20.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.938 0.399 . . . . 0.0 110.934 -179.808 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -83.08 -37.49 23.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.846 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.428 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -62.29 -28.19 69.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.227 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.49 -48.64 26.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.039 0.447 . . . . 0.0 110.808 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -37.33 72.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.466 -179.644 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -81.2 -39.28 25.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.267 -179.653 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 0.5 OUTLIER -65.99 -32.96 74.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.949 0.404 . . . . 0.0 110.361 179.615 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.1 tp -67.76 -47.03 70.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.693 179.9 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -58.21 -43.5 87.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 179.931 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.49 -31.53 72.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.587 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 9.8 mt -81.11 -27.34 35.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.046 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.528 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 68.7 t-105 -87.38 -27.13 22.97 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.761 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.426 ' HA2' ' NZ ' ' A' ' 63' ' ' LYS . . . -68.26 -64.05 3.3 Favored Glycine 0 C--N 1.333 0.405 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.015 179.105 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.7 HG21 ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -51.4 -49.65 61.18 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 178.821 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.7 ' N ' HG21 ' A' ' 61' ' ' THR . 2.2 t80 -46.44 -51.57 14.87 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 113.412 -1.722 . . . . 0.0 109.43 178.058 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.572 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 0.1 OUTLIER -58.41 -35.64 72.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.331 -1.304 . . . . 0.0 111.108 179.811 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.434 ' HB ' ' O ' ' A' ' 61' ' ' THR . 58.4 m -50.51 -37.05 36.92 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 178.803 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -85.15 -30.76 23.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.499 178.541 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.572 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 72.9 t -55.38 -36.87 42.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.291 -179.891 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -67.88 -38.52 83.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.965 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -89.51 -10.2 47.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.846 -179.616 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.53 ' CD2' ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -67.41 -35.37 79.15 Favored 'General case' 0 N--CA 1.461 0.102 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.886 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -77.44 0.76 21.38 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.49 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.08 -25.11 11.28 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.672 179.534 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 36.6 m-20 -60.63 93.69 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.029 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.77 87.27 7.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.773 179.873 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -115.97 50.55 0.78 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.675 -179.944 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -160.15 -106.82 0.22 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.494 179.934 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.0 m -67.24 150.95 48.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.359 . . . . 0.0 111.018 -179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -175.78 36.27 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.503 -179.922 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -61.99 160.58 12.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 0.0 110.883 -179.865 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.782 179.978 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 ttm . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 120.924 0.392 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.2 129.76 37.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.792 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.3 85.52 4.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.604 179.732 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.454 ' O ' HG21 ' A' ' 4' ' ' VAL . 22.6 m -137.27 125.2 32.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.177 0.513 . . . . 0.0 111.006 179.951 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.753 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.2 pt? -86.01 145.7 26.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.976 -179.749 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.9 p -89.99 -174.63 4.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.491 -179.182 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 7' ' ' ARG . 1.5 mmt-85 -55.74 -37.28 68.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.803 179.844 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.03 -39.29 93.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.429 -179.855 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.753 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 1.7 m-20 -69.96 -57.09 5.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.164 -179.796 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.517 ' N ' HD13 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -54.44 -39.99 67.93 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.826 0.346 . . . . 0.0 110.781 -179.627 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.492 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 16.8 tp10 -70.73 -34.54 71.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.025 179.246 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.7 ttt85 -70.14 -40.53 74.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.802 179.274 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.442 HD23 ' CD2' ' A' ' 62' ' ' PHE . 1.6 tp -60.25 -31.42 70.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.863 179.018 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.427 ' HG ' ' CZ3' ' A' ' 24' ' ' TRP . 12.1 mt -69.42 -37.67 77.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.769 179.644 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -56.35 -46.23 80.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.751 179.865 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.514 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 1.1 mt -77.61 -15.07 59.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.98 179.696 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.446 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.9 OUTLIER -90.14 -10.0 46.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.904 -179.784 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.38 19.55 3.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.309 0.576 . . . . 0.0 109.758 -178.451 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.554 ' CD1' HD23 ' A' ' 23' ' ' LEU . 3.5 tt -112.67 110.56 52.3 Favored Pre-proline 0 N--CA 1.451 -0.401 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.941 -179.074 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.5 ' O ' HD12 ' A' ' 23' ' ' LEU . 73.4 Cg_exo -48.21 169.15 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.768 2.312 . . . . 0.0 113.402 -178.833 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.32 -5.56 56.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.001 179.117 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -73.89 -35.63 64.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.115 0.483 . . . . 0.0 110.722 -179.393 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.554 HD23 ' CD1' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -101.28 11.38 39.4 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.268 179.894 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.469 ' CZ2' ' HB2' ' A' ' 10' ' ' LYS . 58.9 t-105 -53.36 98.32 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.321 179.576 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.72 -24.53 0.56 Allowed Glycine 0 C--N 1.33 0.241 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.794 179.822 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.419 ' HB3' ' HB2' ' A' ' 29' ' ' ARG . 27.4 t0 -80.37 91.57 5.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.694 0.283 . . . . 0.0 111.113 -179.781 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.444 ' HA ' ' CG ' ' A' ' 30' ' ' MET . 40.0 t80 -47.09 -47.25 23.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.806 -179.729 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.94 -35.71 77.18 Favored Glycine 0 CA--C 1.517 0.187 0 C-N-CA 120.849 -0.691 . . . . 0.0 113.381 -179.306 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.419 ' HB2' ' HB3' ' A' ' 26' ' ' ASP . 0.2 OUTLIER -78.96 -45.61 20.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.796 0.298 . . . . 0.0 111.468 -179.42 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.444 ' CG ' ' HA ' ' A' ' 27' ' ' PHE . 13.9 ptp -61.42 -42.87 99.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.586 0.231 . . . . 0.0 110.971 -179.789 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -63.39 -39.36 94.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.94 0.4 . . . . 0.0 110.391 179.722 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -59.92 -33.89 72.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.171 179.484 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.33 -43.15 19.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.554 179.498 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.482 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 13.6 t80 -54.23 -40.97 68.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.981 179.83 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -73.75 -38.96 64.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.635 179.623 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -59.38 -37.61 78.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.203 179.595 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.514 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 12.9 mm100 -87.22 -19.56 28.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.138 179.667 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.4 m -72.98 -39.23 66.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.938 0.399 . . . . 0.0 110.676 179.662 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.434 ' O ' ' HD3' ' A' ' 45' ' ' LYS . 0.5 OUTLIER -68.16 -27.1 66.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.398 -179.716 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.562 HD13 ' HG ' ' A' ' 41' ' ' LEU . 4.3 pp -90.14 -15.93 30.58 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.971 -0.291 . . . . 0.0 111.207 179.638 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.562 ' HG ' HD13 ' A' ' 40' ' ' LEU . 7.5 mt -95.42 5.72 50.86 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.167 179.299 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.448 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 20.1 t-80 -85.95 139.52 34.92 Favored Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.618 -0.264 . . . . 0.0 110.396 179.619 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.448 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 87.9 Cg_exo -45.41 -41.54 17.82 Favored 'Trans proline' 0 CA--C 1.528 0.208 0 C-N-CA 122.798 2.332 . . . . 0.0 112.892 -179.797 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.0 -10.93 60.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.712 -179.479 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.434 ' HD3' ' O ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -118.36 31.08 6.86 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.82 0.343 . . . . 0.0 111.092 -179.825 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.0 21.64 69.87 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.895 179.738 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -96.68 166.61 23.96 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.468 179.835 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.28 153.01 20.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.949 0.404 . . . . 0.0 111.012 -179.836 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.29 -49.27 11.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.675 179.757 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.7 -26.94 64.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.183 179.936 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.525 ' HB3' HD22 ' A' ' 41' ' ' LEU . 7.2 mt -71.24 -51.34 25.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.046 179.955 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.423 ' O ' ' HB2' ' A' ' 56' ' ' ASN . 3.0 tpt -51.54 -34.07 34.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.984 -179.93 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -80.38 -30.83 37.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.596 179.696 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -66.71 -54.23 25.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.887 179.879 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.482 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 9.3 tp -61.41 -42.47 98.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.74 180.0 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 52' ' ' MET . 1.2 t-20 -62.22 -35.44 78.9 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.86 0.362 . . . . 0.0 110.438 179.679 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.6 m -63.3 -40.52 97.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.512 179.66 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.611 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 3.7 mt -77.82 -29.21 50.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.612 179.556 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.658 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 70.8 t-105 -83.14 -10.2 58.78 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.077 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.453 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -85.58 -57.32 2.21 Favored Glycine 0 C--N 1.338 0.649 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 178.502 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.637 HG23 HD23 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -58.54 -50.62 73.11 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 178.104 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.541 ' N ' ' CG2' ' A' ' 61' ' ' THR . 4.0 t80 -46.28 -48.39 18.08 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 113.55 -1.659 . . . . 0.0 109.174 177.87 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.658 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 3.5 ttmt -60.23 -36.89 78.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.264 -1.335 . . . . 0.0 111.252 179.649 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.7 m -47.17 -37.93 10.98 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.36 0.6 . . . . 0.0 109.4 179.566 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -85.47 -31.79 22.62 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.186 -0.916 . . . . 0.0 109.509 178.175 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.573 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 74.8 t -56.17 -40.46 65.06 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.061 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.852 179.637 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -62.34 -31.41 72.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.484 179.764 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -90.78 -23.65 20.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.643 -179.804 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.484 HD22 ' CG1' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -57.32 -38.47 74.11 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.762 0.315 . . . . 0.0 111.067 -179.453 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.8 mtp85 -75.4 0.86 15.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.866 -179.865 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.4 mtt -115.84 -30.33 6.12 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.948 179.846 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -61.75 143.14 56.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 179.909 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.18 -57.04 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.761 179.837 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 61.89 38.66 96.37 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.569 179.899 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -154.26 53.58 0.44 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.705 -179.95 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.98 132.27 38.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.877 0.37 . . . . 0.0 110.621 179.873 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -85.73 28.73 4.8 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.545 179.799 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -72.97 141.37 47.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.729 0.3 . . . . 0.0 110.814 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.746 0.308 . . . . 0.0 111.213 . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -72.76 117.84 14.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.576 179.704 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.97 87.38 3.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.799 -179.844 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.9 m -129.29 128.13 66.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.191 179.97 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.813 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.1 pt? -90.22 146.3 24.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.478 -179.659 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 p -90.55 -175.27 4.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.975 -179.922 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.403 ' O ' ' HD2' ' A' ' 10' ' ' LYS . 5.3 mtt180 -54.28 -42.35 69.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 179.723 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.14 -40.96 82.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.238 -179.882 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.813 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 1.1 m-20 -66.42 -58.18 5.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.464 -179.649 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.581 ' N ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -60.89 -42.73 98.56 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.773 0.321 . . . . 0.0 110.625 -179.532 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -61.79 -26.1 67.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.31 179.15 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -86.75 -34.5 19.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.402 179.467 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.411 HD21 ' CD2' ' A' ' 62' ' ' PHE . 1.6 tp -65.32 -32.38 74.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.896 179.111 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.409 ' CD2' HD23 ' A' ' 19' ' ' LEU . 12.5 mt -68.86 -37.17 78.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.709 179.713 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -56.64 -53.63 55.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.663 179.832 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.75 -12.8 61.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.937 179.479 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.448 ' O ' ' HB1' ' A' ' 33' ' ' ALA . 0.6 OUTLIER -90.15 -9.35 48.59 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.708 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.68 19.85 1.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.278 0.561 . . . . 0.0 110.042 -178.815 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.496 ' CD1' HD22 ' A' ' 23' ' ' LEU . 3.6 tt -113.08 111.26 50.67 Favored Pre-proline 0 N--CA 1.452 -0.368 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.672 -179.286 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.535 ' O ' HD12 ' A' ' 23' ' ' LEU . 85.6 Cg_exo -46.06 166.26 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.66 2.24 . . . . 0.0 113.36 -178.727 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.38 -3.66 57.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.194 179.444 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -78.32 -32.36 49.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.921 0.391 . . . . 0.0 110.902 -179.345 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.535 HD12 ' O ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -101.42 10.95 39.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.134 179.831 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.467 ' CH2' ' HB2' ' A' ' 10' ' ' LYS . 46.2 t-105 -52.75 100.98 0.03 OUTLIER 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.288 179.599 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.92 -31.46 0.61 Allowed Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.663 179.833 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.457 ' HB3' ' HB2' ' A' ' 29' ' ' ARG . 19.1 t0 -73.96 93.75 2.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.718 0.294 . . . . 0.0 111.17 -179.906 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.473 ' CE1' HG12 ' A' ' 66' ' ' VAL . 20.4 t80 -49.37 -36.65 22.32 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.553 -179.676 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.67 -31.62 73.56 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.848 -0.691 . . . . 0.0 113.0 -179.448 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.457 ' HB2' ' HB3' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -82.85 -35.44 26.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.85 0.357 . . . . 0.0 111.238 -179.645 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.473 ' HG2' ' HA ' ' A' ' 27' ' ' PHE . 13.5 ptp -74.35 -42.89 58.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.024 -179.902 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -64.35 -47.73 78.21 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.107 -179.994 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' A' ' 29' ' ' ARG . 1.3 pt20 -57.29 -33.11 67.31 Favored 'General case' 0 C--O 1.231 0.107 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.692 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.448 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -77.4 -44.62 28.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.1 178.995 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.457 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 12.2 t80 -54.17 -37.27 64.27 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.26 179.199 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.14 -44.5 38.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.47 179.567 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -61.6 -30.0 70.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.499 179.581 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.501 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 91.9 mm-40 -87.48 -18.33 30.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.07 179.798 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.1 m -77.19 -35.04 56.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.922 0.392 . . . . 0.0 110.611 179.678 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.1 mt -62.29 -32.35 73.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.0 pp -89.18 -15.81 32.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.789 179.719 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.608 HD22 ' HB3' ' A' ' 51' ' ' LEU . 17.1 mt -94.81 -5.83 44.25 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.02 179.535 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.554 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 4.1 t-80 -68.9 138.45 90.29 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.163 179.413 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.554 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 26.1 Cg_endo -62.78 -12.69 30.14 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.531 2.154 . . . . 0.0 112.823 -179.749 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.54 -21.94 25.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.733 0.301 . . . . 0.0 110.903 179.71 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.485 ' HD3' ' HB3' ' A' ' 42' ' ' HIS . 0.9 OUTLIER -99.92 31.01 3.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.016 -179.955 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.54 45.71 75.32 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.682 179.737 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -125.52 171.59 17.44 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.491 179.835 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.413 ' CB ' HD11 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -89.99 150.56 22.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.889 0.376 . . . . 0.0 110.854 -179.975 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -79.01 -41.94 27.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.48 -36.75 76.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.61 -179.732 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.608 ' HB3' HD22 ' A' ' 41' ' ' LEU . 3.7 mp -62.28 -55.77 25.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.224 -179.62 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 7.6 tpt -56.99 -30.42 64.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.205 -179.747 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -69.83 -27.55 64.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.8 179.837 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.97 -49.24 38.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.863 179.919 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.457 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 7.9 tp -55.53 -46.38 77.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -59.17 -42.75 91.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.01 0.433 . . . . 0.0 110.705 179.78 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 t -66.08 -30.64 71.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.594 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 9.1 mt -86.28 -24.99 25.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.444 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.535 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 63.8 t-105 -89.47 -26.25 21.04 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.108 -0.331 . . . . 0.0 110.108 179.883 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.413 ' HA2' ' NZ ' ' A' ' 63' ' ' LYS . . . -68.29 -63.65 3.49 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.825 -0.702 . . . . 0.0 111.957 179.109 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.689 HG21 ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -52.83 -50.19 64.18 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 178.905 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.689 ' N ' HG21 ' A' ' 61' ' ' THR . 5.7 t80 -45.9 -49.37 15.68 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 113.436 -1.711 . . . . 0.0 109.491 177.931 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.577 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 0.2 OUTLIER -56.93 -33.46 67.01 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 114.136 -1.393 . . . . 0.0 111.145 179.724 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.412 ' HB ' ' O ' ' A' ' 61' ' ' THR . 58.1 m -50.88 -37.9 46.39 Favored 'General case' 0 CA--C 1.521 -0.152 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.887 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -85.33 -30.89 23.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.55 178.36 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.577 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 76.7 t -56.87 -34.84 44.88 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.058 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.699 179.796 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -68.49 -31.54 70.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.539 179.604 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -90.79 -23.28 20.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.5 -179.855 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.549 HD12 HD11 ' A' ' 73' ' ' LEU . 0.8 OUTLIER -53.92 -33.64 57.28 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.776 0.322 . . . . 0.0 111.279 -179.548 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -78.58 1.09 23.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.931 0.396 . . . . 0.0 111.972 -179.654 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.2 mmm -104.66 -24.01 13.01 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.297 -179.886 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -102.82 -16.97 15.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.568 -179.674 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.549 HD11 HD12 ' A' ' 69' ' ' LEU . 3.4 mt -77.92 87.65 4.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.151 0.501 . . . . 0.0 110.77 -179.937 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 155.85 162.61 11.49 Favored Glycine 0 N--CA 1.45 -0.418 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.532 179.982 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 130.61 -54.72 0.78 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 -179.939 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.3 p -82.7 106.67 14.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.792 0.33 . . . . 0.0 110.849 -179.993 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 163.07 -32.32 0.29 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.555 -179.812 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -64.48 142.74 58.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.795 0.331 . . . . 0.0 110.807 179.963 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.606 179.771 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.925 0.393 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -156.29 -36.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.993 179.895 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.3 mtt180 -91.06 69.03 6.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.174 -179.677 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.456 ' O ' HG21 ' A' ' 4' ' ' VAL . 26.8 m -128.1 126.99 67.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.079 0.466 . . . . 0.0 111.026 179.41 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.79 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.0 pt? -90.28 142.24 27.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.111 -179.698 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.7 p -84.14 -176.15 6.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.97 -179.369 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.48 ' HG3' ' N ' ' A' ' 8' ' ' ALA . 8.2 ptt180 -57.78 -36.6 72.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.015 -179.94 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.48 ' N ' ' HG3' ' A' ' 7' ' ' ARG . . . -64.76 -41.87 95.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.79 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 1.4 m-20 -59.37 -59.66 5.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 179.75 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.576 ' N ' HD11 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -60.59 -44.2 96.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.685 -179.975 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -63.93 -28.29 69.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.229 179.414 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -85.11 -27.85 25.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.229 179.284 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.435 HD21 ' CD2' ' A' ' 62' ' ' PHE . 1.1 tp -68.13 -30.22 69.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.048 179.39 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.587 HD12 ' HG3' ' A' ' 21' ' ' ARG . 89.2 mt -77.72 -37.4 49.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.008 -179.889 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -59.67 -36.69 76.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.861 179.797 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.6 mp -84.56 -19.88 32.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.23 179.947 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.489 HD12 HD11 ' A' ' 55' ' ' LEU . 7.2 mp -90.23 -0.58 57.69 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.87 20.39 1.61 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.294 0.569 . . . . 0.0 110.026 -178.902 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.533 ' CD1' HD22 ' A' ' 23' ' ' LEU . 4.2 tt -110.65 111.56 56.92 Favored Pre-proline 0 N--CA 1.449 -0.485 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.179 -178.891 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.501 ' O ' HD11 ' A' ' 23' ' ' LEU . 77.0 Cg_exo -47.53 168.17 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 123.156 2.57 . . . . 0.0 113.975 -178.591 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.587 ' HG3' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -90.59 -7.48 52.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.737 179.649 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -76.37 -33.86 58.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.0 0.428 . . . . 0.0 111.252 -178.76 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.533 HD22 ' CD1' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -97.21 12.64 32.14 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.53 -179.652 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.447 ' CH2' ' HB2' ' A' ' 10' ' ' LYS . 73.4 t-105 -51.88 97.19 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.234 179.492 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.23 -25.68 0.61 Allowed Glycine 0 C--N 1.332 0.358 0 C-N-CA 120.507 -0.854 . . . . 0.0 113.049 179.883 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -80.53 89.71 5.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.591 0.234 . . . . 0.0 111.147 -179.678 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.462 ' CD1' ' CG1' ' A' ' 66' ' ' VAL . 30.2 t80 -48.2 -35.81 12.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.743 0.306 . . . . 0.0 111.521 -179.788 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -64.0 -41.08 98.73 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 0.0 113.296 -179.388 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -76.21 -37.8 57.3 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -178.985 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.408 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 18.2 ptp -73.26 -40.34 64.69 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.171 -0.212 . . . . 0.0 111.025 -179.879 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -66.36 -36.98 84.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.898 0.38 . . . . 0.0 110.084 179.266 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.424 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -66.28 -36.33 82.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.932 179.13 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.63 -31.65 57.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.37 179.355 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.481 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 13.4 t80 -61.72 -45.14 95.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.513 179.644 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -41.94 78.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.016 0.436 . . . . 0.0 110.443 179.729 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -63.8 -32.2 73.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.611 179.776 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.484 ' HA ' HD23 ' A' ' 40' ' ' LEU . 98.1 mm-40 -90.0 -21.12 22.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.811 179.914 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.2 m -69.81 -37.17 76.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.029 0.442 . . . . 0.0 110.27 179.223 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.8 mt -61.38 -50.35 73.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.841 179.911 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 37' ' ' GLN . 2.6 pp -64.42 -20.69 66.31 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.421 HD21 ' HB3' ' A' ' 51' ' ' LEU . 34.0 mt -95.72 9.08 41.59 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.796 179.249 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.463 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 3.8 t60 -85.27 131.63 47.67 Favored Pre-proline 0 CA--C 1.53 0.186 0 CA-C-O 120.613 0.244 . . . . 0.0 110.713 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.463 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 75.2 Cg_exo -45.61 -16.3 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.852 2.368 . . . . 0.0 113.614 -179.982 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -92.4 -28.75 16.68 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.785 0.326 . . . . 0.0 111.067 -179.818 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp -98.41 29.02 3.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.058 -179.807 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 59.66 89.38 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.428 -179.909 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -154.07 164.93 31.56 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.581 -179.887 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.7 m -87.96 151.61 22.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.851 0.358 . . . . 0.0 110.965 -179.875 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -80.07 -35.99 36.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.777 179.955 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.79 -21.84 66.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.382 -179.886 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.421 ' HB3' HD21 ' A' ' 41' ' ' LEU . 0.5 OUTLIER -86.05 -49.34 7.87 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.976 0.417 . . . . 0.0 110.447 179.735 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -31.05 65.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.278 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -83.07 -38.06 23.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -36.14 83.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.988 0.423 . . . . 0.0 110.225 179.509 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.489 HD11 HD12 ' A' ' 17' ' ' LEU . 9.0 tp -67.82 -46.56 71.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.633 179.732 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -61.85 -39.37 91.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.954 179.921 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.63 -32.42 60.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.742 179.752 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.597 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 13.1 mt -78.94 -29.12 43.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.21 -179.698 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.57 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 63.2 t-105 -88.87 -25.73 21.99 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 179.77 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.41 ' HA2' ' HZ3' ' A' ' 63' ' ' LYS . . . -70.2 -63.73 3.16 Favored Glycine 0 C--N 1.335 0.504 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.99 179.031 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.651 HG21 ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -51.1 -49.37 60.84 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 178.779 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.651 ' N ' HG21 ' A' ' 61' ' ' THR . 7.2 t80 -46.48 -56.38 6.04 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 113.221 -1.809 . . . . 0.0 109.289 177.556 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.57 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -53.52 -38.31 63.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.53 -1.214 . . . . 0.0 111.237 179.378 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.418 ' HB ' ' O ' ' A' ' 61' ' ' THR . 28.5 m -47.95 -41.14 24.22 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 121.268 0.556 . . . . 0.0 109.519 179.098 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -83.57 -28.33 28.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.833 178.62 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.565 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 71.9 t -57.44 -39.87 71.19 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.068 -179.879 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.33 -30.82 71.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.984 0.421 . . . . 0.0 110.142 179.297 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -90.8 -16.83 27.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.522 179.839 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.484 HD22 ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -59.54 -40.42 87.14 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.744 0.307 . . . . 0.0 111.061 -179.436 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.4 mtm105 -80.53 1.1 30.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.024 0.44 . . . . 0.0 112.094 -179.468 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 9.0 mtt -96.95 -17.17 20.26 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.625 179.369 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -97.62 -8.35 29.1 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.365 179.865 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.1 mt -81.91 17.55 1.52 Allowed 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 111.593 0.219 . . . . 0.0 111.593 -179.842 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -110.48 -72.09 0.68 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.32 179.899 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 122.1 -44.61 1.31 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.767 179.864 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.1 p -81.01 124.76 29.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 0.0 110.985 179.97 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 173.47 53.65 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.733 179.945 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -86.7 130.83 34.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.809 0.338 . . . . 0.0 110.708 179.711 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.077 -179.607 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.9 mmm . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 120.71 0.29 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -81.67 125.42 30.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.133 -179.887 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.55 93.52 6.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.422 179.652 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.422 ' O ' HG21 ' A' ' 4' ' ' VAL . 17.7 m -88.23 125.01 41.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.415 0.626 . . . . 0.0 111.227 -179.633 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.676 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.8 OUTLIER -90.41 140.42 29.74 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.732 179.905 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.6 p -85.92 -169.15 2.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.807 -179.976 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.8 tpp85 -63.19 -37.06 85.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.958 179.882 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.6 -25.1 61.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.745 -179.594 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.676 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 7.3 m-20 -86.27 -49.2 7.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.582 0.23 . . . . 0.0 110.822 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.494 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -56.77 -44.01 81.39 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.953 0.406 . . . . 0.0 110.054 179.442 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.21 -30.77 71.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.992 179.008 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -68.38 -40.7 81.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.767 179.021 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.401 HD21 ' CD2' ' A' ' 62' ' ' PHE . 1.4 tp -56.37 -31.44 63.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.086 179.103 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.461 ' CD2' HD22 ' A' ' 19' ' ' LEU . 12.7 mt -70.31 -48.53 56.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.889 179.712 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -49.57 -29.16 6.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.98 0.419 . . . . 0.0 110.666 179.788 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.1 mp -87.65 -22.9 24.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.265 179.798 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.411 HD13 HD11 ' A' ' 55' ' ' LEU . 6.6 mp -88.28 0.34 56.25 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 179.572 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 54.4 19.05 2.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.379 0.609 . . . . 0.0 110.042 -178.893 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.461 HD22 ' CD2' ' A' ' 14' ' ' LEU . 1.9 tt -109.78 110.27 59.31 Favored Pre-proline 0 N--CA 1.448 -0.533 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.835 -179.244 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.483 ' O ' HD13 ' A' ' 23' ' ' LEU . 84.0 Cg_exo -46.19 168.24 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.88 2.386 . . . . 0.0 113.699 -178.604 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 26.1 mtm105 -90.32 -3.3 57.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.041 179.291 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -80.85 -29.44 35.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.874 0.369 . . . . 0.0 111.482 -178.776 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.483 HD13 ' O ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -105.1 11.65 32.99 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.275 179.992 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.494 ' CH2' ' HB2' ' A' ' 10' ' ' LYS . 27.9 t-105 -54.91 114.68 1.83 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.019 179.424 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 139.87 -26.78 2.6 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.493 -179.925 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -79.09 88.49 4.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.674 0.273 . . . . 0.0 111.066 -179.86 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.498 ' HA ' ' CG ' ' A' ' 30' ' ' MET . 5.4 t80 -45.7 -32.5 2.47 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.803 -179.695 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.67 -33.23 71.29 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.896 -179.569 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.1 mtp180 -84.41 -36.09 22.64 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.565 0.209 . . . . 0.0 111.565 -179.341 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.498 ' CG ' ' HA ' ' A' ' 27' ' ' PHE . 15.4 ptp -74.24 -44.85 51.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.751 -0.204 . . . . 0.0 111.233 -179.729 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -64.89 -44.29 90.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.908 0.385 . . . . 0.0 110.498 179.669 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -34.16 72.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.147 179.384 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.05 -30.58 39.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.442 179.497 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.431 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 12.8 t80 -61.36 -48.14 82.65 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.343 179.614 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.6 -45.23 91.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.569 179.729 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.56 -30.86 68.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.888 179.864 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -90.19 -24.67 20.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.084 179.872 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.7 m -79.71 -35.14 39.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.849 0.357 . . . . 0.0 110.794 179.948 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.471 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 2.7 mt -64.89 -24.68 67.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.168 -179.804 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 pp -90.16 -28.7 18.74 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.233 -179.885 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.4 mt -93.4 23.02 4.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.947 0.403 . . . . 0.0 110.59 179.21 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.46 ' ND1' ' HD2' ' A' ' 43' ' ' PRO . 86.3 t60 -90.18 137.62 27.75 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.669 179.855 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.46 ' HD2' ' ND1' ' A' ' 42' ' ' HIS . 91.1 Cg_exo -41.87 -53.37 3.45 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.863 2.375 . . . . 0.0 113.225 -179.799 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.406 ' HB2' ' CD2' ' A' ' 42' ' ' HIS . 6.6 m-20 -67.57 -11.6 58.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.687 -179.626 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 39' ' ' LEU . 10.1 mmtm -113.9 31.02 6.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.783 0.325 . . . . 0.0 110.779 179.927 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 57.45 63.68 5.07 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 179.964 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -128.56 163.0 22.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 -179.924 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.6 m -90.13 152.84 20.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 111.138 -179.878 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.56 -44.86 18.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.739 179.803 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.431 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -60.41 -27.01 67.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.183 -179.949 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.73 -48.98 13.86 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.101 -179.916 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -45.38 87.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.208 -179.628 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -69.47 -35.87 76.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.24 -179.6 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -63.65 -46.74 84.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.097 0.475 . . . . 0.0 110.351 179.707 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.431 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 12.6 tp -68.13 -43.29 78.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.948 -179.919 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.09 -33.04 72.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.904 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.4 -36.89 45.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.737 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.496 ' O ' HD21 ' A' ' 5' ' ' LEU . 0.5 OUTLIER -77.52 -25.45 50.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 179.804 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.526 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 61.2 t-105 -90.87 -25.57 19.78 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.434 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.415 ' HA2' ' NZ ' ' A' ' 63' ' ' LYS . . . -67.71 -68.6 1.6 Allowed Glycine 0 C--N 1.336 0.566 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.824 179.857 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.553 ' CG2' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -50.47 -48.86 56.45 Favored 'General case' 0 CA--C 1.51 -0.562 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 179.276 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.516 ' N ' ' CG2' ' A' ' 61' ' ' THR . 5.6 t80 -44.45 -52.48 7.81 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 113.395 -1.729 . . . . 0.0 109.347 177.597 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.614 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 0.1 OUTLIER -55.73 -41.74 74.33 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 114.08 -1.418 . . . . 0.0 111.011 179.382 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.411 ' HB ' ' O ' ' A' ' 61' ' ' THR . 94.8 m -51.3 -35.59 38.52 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 178.891 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.32 -31.99 22.72 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.589 178.318 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.614 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 50.1 t -49.02 -40.6 12.99 Favored 'Isoleucine or valine' 0 C--O 1.231 0.088 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.822 -179.952 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.26 -31.32 72.48 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.611 179.773 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -90.73 -22.15 21.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.435 -179.741 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.473 ' CD2' ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -59.42 -38.52 80.84 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.794 0.331 . . . . 0.0 111.048 -179.543 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -77.97 1.18 21.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.051 0.453 . . . . 0.0 111.864 -179.645 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.7 mtt -113.95 -6.07 13.17 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.397 179.892 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.64 154.88 40.48 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 121.104 0.478 . . . . 0.0 111.332 -179.743 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 1.0 OUTLIER -142.97 91.8 2.33 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.261 177.67 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -139.97 144.16 14.66 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.713 -179.915 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 116.57 -44.78 1.39 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.659 179.917 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 36.7 p -66.22 150.25 49.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.849 0.356 . . . . 0.0 111.106 -179.827 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 147.78 27.07 0.07 OUTLIER Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.724 -0.75 . . . . 0.0 113.116 179.838 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.8 160.24 32.5 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.784 0.292 . . . . 0.0 110.608 179.708 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.91 179.871 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 ttp . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 120.855 0.36 . . . . 0.0 111.323 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -94.2 -12.62 27.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.148 179.767 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -88.84 89.76 8.12 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-O 120.845 0.355 . . . . 0.0 110.328 179.598 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.414 ' O ' HG21 ' A' ' 4' ' ' VAL . 20.3 m -139.44 123.88 20.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.434 -179.975 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.766 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.3 OUTLIER -71.46 149.09 46.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.582 179.282 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.2 p -88.87 177.51 6.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.295 -178.813 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.438 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 36.3 ttm180 -50.84 -35.19 31.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.049 -179.93 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.92 -44.24 70.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.635 -179.692 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.766 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 42.9 m-20 -73.91 -43.38 58.58 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 121.097 -0.241 . . . . 0.0 111.258 -179.541 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 11' ' ' GLU . 4.3 pttp -67.77 -33.93 75.8 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.877 0.37 . . . . 0.0 110.3 179.501 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.445 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 23.5 tp10 -65.62 -34.83 79.15 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.112 0.482 . . . . 0.0 109.716 178.908 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.481 ' O ' HD13 ' A' ' 16' ' ' LEU . 16.9 tpt180 -66.46 -34.43 77.92 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.662 179.014 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 tp -62.46 -31.74 72.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.124 179.291 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.452 ' HG ' ' CZ3' ' A' ' 24' ' ' TRP . 13.2 mt -75.04 -39.31 61.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.89 179.624 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.1 -41.13 67.94 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.021 -179.75 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.481 HD13 ' O ' ' A' ' 12' ' ' ARG . 8.4 mp -79.15 -16.26 56.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.632 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.456 ' N ' HD22 ' A' ' 17' ' ' LEU . 3.2 mm? -90.2 -9.37 48.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.972 -179.77 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.22 20.84 1.99 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 121.351 0.596 . . . . 0.0 109.931 -178.637 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.455 HD11 HD23 ' A' ' 23' ' ' LEU . 3.1 tt -111.01 111.09 56.44 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.082 -179.016 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.537 ' O ' HD13 ' A' ' 23' ' ' LEU . 87.9 Cg_exo -43.98 166.92 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.919 2.413 . . . . 0.0 113.575 -178.828 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.2 -9.21 48.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.425 179.607 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -71.95 -35.27 69.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.151 0.501 . . . . 0.0 110.911 -179.215 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.537 HD13 ' O ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -98.5 8.67 44.59 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.26 179.81 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.452 ' CZ3' ' HG ' ' A' ' 14' ' ' LEU . 37.4 t-105 -52.6 100.46 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.019 179.417 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 158.66 -25.02 0.36 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.603 -179.938 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -79.66 89.03 5.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.754 0.312 . . . . 0.0 111.078 -179.817 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.454 ' CD1' HG12 ' A' ' 66' ' ' VAL . 35.7 t80 -47.75 -49.14 29.29 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.091 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.485 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -57.41 -33.63 66.55 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.598 -179.876 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.16 -46.72 14.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.643 0.258 . . . . 0.0 111.634 -179.624 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.5 ptm -69.36 -44.57 71.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.45 -179.456 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -61.47 -42.72 99.22 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.529 179.701 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.486 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -54.92 -43.88 73.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.83 0.348 . . . . 0.0 110.371 179.647 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.91 -34.03 75.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.748 179.524 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.496 ' CE2' ' CG ' ' A' ' 59' ' ' TRP . 8.9 t80 -54.55 -38.64 66.86 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.681 179.573 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.82 -37.05 41.63 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.288 -179.828 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' A' ' 32' ' ' GLN . 47.0 mm-40 -61.6 -45.7 92.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.857 0.36 . . . . 0.0 110.87 -179.847 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 23.4 mm100 -80.73 -19.21 45.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.048 179.936 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.1 m -71.99 -34.77 69.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.998 0.428 . . . . 0.0 110.161 179.269 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 60.2 mt -66.02 -38.31 88.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.872 179.891 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.4 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -81.11 -14.92 57.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.034 179.666 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.5 mt -95.46 6.08 49.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.463 179.532 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.461 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 19.9 t-80 -87.9 136.15 32.79 Favored Pre-proline 0 C--N 1.332 -0.181 0 CA-C-O 120.719 0.295 . . . . 0.0 110.503 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.461 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 87.9 Cg_exo -45.76 -33.68 10.71 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.988 2.459 . . . . 0.0 113.25 -179.582 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.01 -12.92 60.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.602 -179.305 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -120.89 30.99 6.6 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.765 0.317 . . . . 0.0 111.079 -179.933 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 60.74 54.62 35.46 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.579 179.86 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -116.83 169.57 13.1 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.41 179.896 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.06 149.21 22.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.9 0.381 . . . . 0.0 110.942 -179.917 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -83.3 -37.75 23.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.861 179.908 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.502 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -72.39 -28.82 63.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.492 -179.761 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.402 HD23 HD23 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -73.99 -49.79 22.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.854 0.359 . . . . 0.0 111.038 -179.784 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.57 -38.4 74.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.378 -179.705 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -78.32 -32.19 49.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.984 -179.857 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.502 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 1.1 tp10 -64.77 -49.02 72.37 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.091 0.472 . . . . 0.0 110.09 179.224 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.432 HD22 ' CE2' ' A' ' 34' ' ' TYR . 10.1 tp -61.6 -39.24 90.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.817 179.853 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -60.64 -33.01 72.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.804 179.99 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.77 -36.59 62.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -179.902 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.45 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 17.5 mt -79.62 -28.67 40.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.833 179.933 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.667 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 71.5 t-105 -89.81 -18.61 25.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.025 179.53 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.21 -60.88 3.16 Favored Glycine 0 C--N 1.334 0.45 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.082 179.382 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.555 ' CG2' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -56.93 -50.18 73.35 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 179.434 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.756 ' O ' ' HG3' ' A' ' 65' ' ' GLU . 4.7 t80 -45.18 -49.66 11.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 113.442 -1.708 . . . . 0.0 109.679 178.038 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.667 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 1.7 ttmt -57.58 -40.26 78.61 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.729 179.54 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 61' ' ' THR . 86.9 m -53.12 -44.4 67.64 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 178.871 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.756 ' HG3' ' O ' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -82.91 -19.25 37.67 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.246 178.645 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.636 ' HA ' HD21 ' A' ' 69' ' ' LEU . 6.4 t -56.82 -48.16 81.64 Favored 'Isoleucine or valine' 0 C--N 1.339 0.127 0 CA-C-O 120.784 0.326 . . . . 0.0 110.449 179.605 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.41 -26.76 66.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.934 0.397 . . . . 0.0 110.432 179.602 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -90.62 -20.93 22.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.26 179.84 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.636 HD21 ' HA ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -62.09 -37.93 86.94 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.817 0.341 . . . . 0.0 110.672 -179.554 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.2 mtm180 -74.22 1.09 12.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.077 -179.343 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -112.35 -39.33 4.44 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.413 179.548 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -66.17 140.98 58.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.917 179.971 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.47 87.29 7.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.586 179.661 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -151.76 51.74 0.5 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.668 -179.878 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 164.71 32.45 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.825 179.793 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.4 m -86.13 152.21 23.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.694 0.283 . . . . 0.0 110.66 179.829 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -87.47 41.63 3.1 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.458 179.727 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -93.57 25.83 3.31 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.721 0.296 . . . . 0.0 111.055 179.968 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.097 179.978 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 ttp . . . . . 0 N--CA 1.488 1.446 0 CA-C-O 120.822 0.344 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.3 p-10 -99.12 -10.52 22.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.938 179.601 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.04 88.36 6.96 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.988 -179.779 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.464 ' O ' HG21 ' A' ' 4' ' ' VAL . 25.3 m -138.72 123.21 21.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.195 0.522 . . . . 0.0 111.036 179.473 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.713 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 1.9 pt? -87.77 134.8 33.61 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.578 -179.937 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.9 p -76.64 173.18 11.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.419 -178.85 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -50.27 -33.67 20.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.736 179.834 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.443 ' O ' ' HB2' ' A' ' 12' ' ' ARG . . . -69.86 -26.16 64.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.193 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.713 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 2.0 m-20 -82.7 -55.41 4.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.05 -179.855 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -40.33 87.81 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.908 0.385 . . . . 0.0 110.24 179.844 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -68.98 -31.19 69.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.065 179.13 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.443 ' HB2' ' O ' ' A' ' 8' ' ' ALA . 13.3 ttm-85 -73.97 -36.81 64.59 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.071 179.184 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.415 HD22 ' CD2' ' A' ' 62' ' ' PHE . 2.6 tp -63.22 -38.02 89.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.919 178.977 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.442 HD22 HD21 ' A' ' 19' ' ' LEU . 14.6 mt -63.72 -47.81 79.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.831 179.827 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -58.84 -23.62 60.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.981 179.855 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.402 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 9.0 mt -89.91 -30.47 17.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.965 -179.862 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.8 mp -85.65 -0.23 54.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.297 -0.411 . . . . 0.0 112.053 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.44 18.89 1.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.219 0.533 . . . . 0.0 110.435 -179.062 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.573 ' HG ' ' CD1' ' A' ' 23' ' ' LEU . 3.5 tt -104.56 110.79 64.83 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.876 -179.178 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.449 ' O ' HD21 ' A' ' 19' ' ' LEU . 53.0 Cg_exo -52.67 176.61 0.07 OUTLIER 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.902 2.401 . . . . 0.0 112.775 -179.582 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 46.5 mtp85 -80.76 -26.65 37.15 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.061 -179.475 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.26 -11.71 10.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.934 -179.687 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.573 ' CD1' ' HG ' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -128.67 20.92 6.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.097 0.475 . . . . 0.0 110.538 179.969 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 36.9 t-105 -53.25 -17.86 2.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.268 179.791 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -101.16 -19.72 15.89 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.294 179.363 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -63.93 89.96 0.06 Allowed 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.945 0.403 . . . . 0.0 110.8 179.945 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -59.3 -42.1 90.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.372 -179.596 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.11 -32.0 82.7 Favored Glycine 0 CA--C 1.518 0.261 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.919 -179.563 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.23 -45.68 25.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.784 0.326 . . . . 0.0 111.232 -179.589 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.423 ' CA ' HD11 ' A' ' 19' ' ' LEU . 11.4 ptp -63.67 -43.37 96.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.131 -179.685 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -61.82 -37.79 85.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 0.0 110.342 179.69 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -66.7 -36.04 81.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.176 179.451 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.14 -32.31 33.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.57 179.559 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.467 ' CE2' ' CG ' ' A' ' 59' ' ' TRP . 7.8 t80 -61.44 -46.36 90.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.295 179.587 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.0 tttp -68.58 -40.04 80.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.504 179.704 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -67.13 -33.25 75.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.614 179.62 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 27.4 mm100 -86.35 -22.95 26.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.145 -179.882 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.64 -28.49 66.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.572 179.525 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.403 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 1.3 mt -77.21 -45.94 24.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.218 -179.703 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.438 ' HA ' ' HB3' ' A' ' 45' ' ' LYS . 3.4 pp -75.29 -8.86 57.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.671 0.272 . . . . 0.0 111.443 -179.796 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.7 mt -95.28 3.41 54.54 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.15 179.38 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.438 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 25.3 t60 -90.1 140.18 27.37 Favored Pre-proline 0 CA--C 1.531 0.23 0 CA-C-O 120.735 0.302 . . . . 0.0 110.587 179.766 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.438 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 82.0 Cg_exo -45.45 -25.82 2.39 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 123.143 2.562 . . . . 0.0 113.975 -179.411 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.31 -22.86 32.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.588 0.232 . . . . 0.0 111.512 -179.257 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.438 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -108.71 30.43 6.51 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.845 0.355 . . . . 0.0 110.79 -179.752 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.11 52.23 28.94 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.5 179.852 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -127.42 161.31 21.54 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.574 179.913 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.15 151.36 21.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.759 0.314 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -70.69 -47.02 61.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.662 179.68 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.505 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -65.41 -35.23 80.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.18 179.961 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.9 mt -66.26 -52.95 42.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.374 -179.628 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -45.69 64.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 0.0 111.127 -179.867 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -73.44 -30.52 63.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.769 179.801 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.505 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 9.8 tt0 -63.07 -33.56 75.71 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.971 0.415 . . . . 0.0 110.154 179.403 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.417 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 10.8 tp -69.46 -46.39 66.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.657 179.791 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -62.97 -34.1 76.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.679 179.82 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 73.2 m -74.95 -33.3 61.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.547 179.722 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.613 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 22.5 mt -83.28 -29.58 28.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.516 179.716 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.59 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 70.6 t-105 -83.11 -13.39 55.74 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.912 179.502 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -80.73 -63.92 1.86 Allowed Glycine 0 C--N 1.338 0.646 0 C-N-CA 121.02 -0.61 . . . . 0.0 111.78 179.069 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.583 ' CG2' HD23 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -53.46 -50.31 65.58 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 107.459 -1.312 . . . . 0.0 107.459 178.877 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.558 ' N ' ' CG2' ' A' ' 61' ' ' THR . 2.7 t80 -44.85 -50.27 10.4 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 113.464 -1.698 . . . . 0.0 109.517 178.013 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.59 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 2.2 ttmt -58.84 -38.83 79.58 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.288 -1.324 . . . . 0.0 111.163 179.543 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 44.0 m -46.9 -37.72 9.34 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.155 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -85.58 -32.23 22.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.668 178.416 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.756 ' HA ' HD22 ' A' ' 69' ' ' LEU . 72.5 t -55.97 -48.82 78.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.3 -179.785 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -55.11 -31.01 60.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.962 0.41 . . . . 0.0 110.371 179.372 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -91.16 -23.6 20.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.743 -179.882 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.756 HD22 ' HA ' ' A' ' 66' ' ' VAL . 0.4 OUTLIER -65.22 -17.3 64.38 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.727 -179.098 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.03 0.9 19.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.993 0.425 . . . . 0.0 111.666 179.872 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.2 mtp -107.82 -31.31 8.08 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.689 179.837 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -76.32 110.42 10.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.807 179.886 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.2 tp -120.0 78.41 1.34 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -97.97 107.85 3.53 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.541 -179.962 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -73.51 -146.39 0.89 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.469 -179.929 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.3 t -62.65 152.36 35.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.946 0.403 . . . . 0.0 110.95 -179.917 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -122.96 -61.57 0.2 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.441 179.965 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -88.62 116.62 27.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.842 0.353 . . . . 0.0 110.772 179.956 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.889 -179.97 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 120.892 0.377 . . . . 0.0 111.288 . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -76.54 123.0 25.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.745 179.883 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -136.44 68.77 1.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.316 -179.837 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.48 ' O ' HG23 ' A' ' 4' ' ' VAL . 30.5 m -138.18 125.28 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.092 0.472 . . . . 0.0 111.274 179.631 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.748 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER -86.69 146.27 26.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.738 179.719 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.3 p -89.43 -169.02 2.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.016 -179.372 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.5 mtt-85 -64.44 -34.28 77.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.591 179.83 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.66 -37.56 76.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.355 -179.78 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.748 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -79.33 -51.5 9.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.618 -0.264 . . . . 0.0 110.984 -179.8 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.491 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -57.33 -33.12 67.4 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.032 0.444 . . . . 0.0 109.897 179.374 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.7 tp10 -70.76 -31.29 68.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.464 178.439 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 ttt85 -63.7 -35.88 82.02 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.733 178.908 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.449 ' HB2' ' HB3' ' A' ' 58' ' ' LEU . 3.1 tp -64.53 -37.22 86.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.741 179.108 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.42 ' CD2' HD22 ' A' ' 19' ' ' LEU . 15.7 mt -66.75 -41.28 88.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.142 179.999 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -54.22 -44.99 72.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.735 -179.995 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.442 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 0.9 OUTLIER -81.81 -15.9 52.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.996 179.834 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.537 HD12 ' HB1' ' A' ' 33' ' ' ALA . 0.7 OUTLIER -89.58 -4.39 57.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.641 -179.573 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 52.93 19.07 1.21 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.282 0.563 . . . . 0.0 110.598 -179.061 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.479 ' CD2' ' CD2' ' A' ' 23' ' ' LEU . 5.4 tt -113.31 110.32 50.78 Favored Pre-proline 0 N--CA 1.449 -0.512 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.813 -179.626 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.471 ' O ' HD12 ' A' ' 23' ' ' LEU . 50.6 Cg_exo -52.25 170.81 0.22 Allowed 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.673 2.249 . . . . 0.0 113.448 -178.7 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.34 -9.0 54.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.768 179.1 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.16 -34.07 74.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.067 -179.271 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.479 ' CD2' ' CD2' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -105.7 11.42 32.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.088 179.879 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.491 ' CZ2' ' HD2' ' A' ' 10' ' ' LYS . 63.4 t-105 -49.37 100.85 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.29 179.441 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.19 -22.97 0.87 Allowed Glycine 0 CA--C 1.521 0.419 0 C-N-CA 120.768 -0.73 . . . . 0.0 113.017 179.953 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.404 ' O ' ' HG2' ' A' ' 30' ' ' MET . 12.9 t0 -78.58 88.46 4.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.624 0.249 . . . . 0.0 111.155 -179.748 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.481 ' CD1' HG12 ' A' ' 66' ' ' VAL . 14.0 t80 -49.94 -36.35 27.54 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.974 -179.62 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.22 -39.72 94.56 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.769 -0.729 . . . . 0.0 113.228 -179.283 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.49 -43.59 26.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.682 0.241 . . . . 0.0 111.615 -179.277 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.437 ' CG ' ' HA ' ' A' ' 27' ' ' PHE . 13.3 ptp -62.04 -44.82 95.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.673 0.273 . . . . 0.0 110.948 -179.746 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -63.14 -37.71 88.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.427 179.688 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.7 tp60 -60.51 -32.95 71.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.329 179.501 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.537 ' HB1' HD12 ' A' ' 17' ' ' LEU . . . -80.59 -42.06 22.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.505 179.453 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.513 ' CE2' ' CD1' ' A' ' 59' ' ' TRP . 8.5 t80 -51.33 -41.78 60.8 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-O 121.11 0.481 . . . . 0.0 109.821 179.066 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? -73.18 -34.24 65.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.314 179.429 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -61.77 -41.15 97.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.637 179.774 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 0.8 OUTLIER -83.93 -22.75 31.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.079 179.78 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.3 m -64.07 -28.35 69.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.028 179.81 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.416 ' HA ' HD23 ' A' ' 39' ' ' LEU . 17.9 mt -79.64 -31.65 41.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.497 -179.6 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.419 ' HG ' ' HA ' ' A' ' 37' ' ' GLN . 1.6 pp -89.16 -15.45 33.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.367 179.893 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 23.1 mt -94.2 -5.0 47.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.782 0.325 . . . . 0.0 110.699 179.151 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.476 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 26.1 t-80 -56.6 140.74 73.97 Favored Pre-proline 0 CA--C 1.531 0.245 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.32 179.384 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.476 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 36.2 Cg_endo -65.28 -18.04 59.75 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.566 2.177 . . . . 0.0 113.357 -179.029 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -85.81 -18.35 33.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.682 0.277 . . . . 0.0 111.329 -179.973 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.457 ' HG2' ' HB3' ' A' ' 42' ' ' HIS . 6.9 mmtt -100.94 31.24 3.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.9 0.381 . . . . 0.0 110.939 -179.648 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.65 45.69 93.93 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.675 179.845 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -107.19 175.34 20.43 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.324 179.845 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.13 145.75 24.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.444 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 1.8 m80 -82.92 -47.32 11.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 179.951 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.39 -25.42 68.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.5 -179.878 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.7 mt -76.97 -48.65 17.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.869 0.366 . . . . 0.0 111.092 -179.842 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.62 -40.22 38.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.351 -179.699 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -71.46 -29.83 65.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.728 179.886 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.38 -48.78 76.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.477 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 13.2 tp -63.28 -34.3 77.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.105 -179.755 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -69.94 -32.55 70.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.106 -179.914 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 54.7 p -74.87 -46.2 37.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.254 -179.726 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.468 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 5.4 mt -69.45 -29.28 66.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.01 -179.852 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.547 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 69.4 t-105 -89.37 -19.02 25.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.135 179.956 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.08 -66.5 1.96 Allowed Glycine 0 C--N 1.335 0.505 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.121 179.438 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.544 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -52.77 -49.84 64.74 Favored 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 179.277 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.544 ' N ' ' CG2' ' A' ' 61' ' ' THR . 4.5 t80 -43.78 -49.59 8.0 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 113.553 -1.658 . . . . 0.0 109.358 177.852 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.565 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 1.7 ttmt -57.26 -41.09 79.01 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.11 -1.404 . . . . 0.0 111.1 179.387 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 61' ' ' THR . 90.7 m -46.33 -37.35 7.33 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 121.282 0.563 . . . . 0.0 109.526 179.279 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -85.48 -32.83 22.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.757 178.43 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.565 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 69.6 t -52.22 -47.61 44.51 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.071 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.087 -179.933 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -59.44 -28.9 67.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.964 0.411 . . . . 0.0 110.446 179.792 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -90.85 -22.82 20.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.447 179.876 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.427 ' CD2' ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -61.08 -32.38 72.03 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.733 0.302 . . . . 0.0 110.852 -179.316 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.2 mtt180 -73.9 0.98 11.73 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.009 0.433 . . . . 0.0 111.884 -179.785 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -104.6 -25.27 12.81 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.564 179.522 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -72.15 137.14 46.76 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.801 179.794 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.9 tp -123.94 -61.34 1.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.925 179.895 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 94.42 -133.19 11.49 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.431 -179.998 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 177.06 37.61 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.581 179.939 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.3 t -76.73 145.46 38.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.859 0.361 . . . . 0.0 110.805 179.931 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -66.01 -26.0 72.22 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.288 179.762 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.26 107.26 19.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.7 0.286 . . . . 0.0 110.954 179.981 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.796 179.817 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mtm . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 120.802 0.334 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -65.18 140.53 58.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.962 179.95 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.39 69.25 1.23 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.764 179.788 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.2 m -133.0 124.32 49.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.176 0.512 . . . . 0.0 111.126 179.952 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.739 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.2 pt? -83.57 147.14 27.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.929 -179.929 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.6 p -89.4 -177.3 5.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.506 -178.891 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.99 -34.4 65.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.87 179.889 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.11 -42.01 94.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.742 179.721 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.739 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 1.0 OUTLIER -64.78 -56.5 13.19 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.054 179.919 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.655 ' N ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -59.6 -40.86 88.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.858 0.361 . . . . 0.0 110.653 -179.709 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.423 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 2.5 mm-40 -64.67 -32.22 73.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.177 179.161 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -79.25 -36.92 39.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.158 179.307 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.431 HD22 ' CD2' ' A' ' 62' ' ' PHE . 2.5 tp -59.85 -32.7 70.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.113 179.233 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.535 ' CD1' ' HG2' ' A' ' 21' ' ' ARG . 26.5 mt -72.33 -42.61 65.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.175 -179.821 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -51.64 -36.59 46.72 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.067 0.46 . . . . 0.0 110.442 179.665 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.475 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 8.6 mp -86.1 -19.06 30.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.966 179.487 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.46 ' N ' HD21 ' A' ' 17' ' ' LEU . 3.5 mm? -89.89 -7.09 55.02 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.301 -0.409 . . . . 0.0 112.051 -179.859 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 mttp 55.19 19.1 2.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.268 0.556 . . . . 0.0 110.315 -178.924 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.515 HD11 ' HA ' ' A' ' 30' ' ' MET . 3.8 tt -108.18 107.41 60.18 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.017 -179.383 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.439 ' O ' HD11 ' A' ' 23' ' ' LEU . 88.0 Cg_exo -47.21 169.91 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.217 2.612 . . . . 0.0 114.105 -178.672 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.535 ' HG2' ' CD1' ' A' ' 14' ' ' LEU . 4.3 mtm105 -88.87 -3.12 58.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.118 179.388 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.97 -27.6 33.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.957 0.408 . . . . 0.0 111.232 -178.849 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.512 HD22 HD23 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -112.78 14.99 19.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.365 -179.864 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.472 ' CE3' HD11 ' A' ' 14' ' ' LEU . 55.6 t-105 -52.93 102.44 0.05 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.426 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 151.99 -20.27 0.87 Allowed Glycine 0 CA--C 1.521 0.446 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.986 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -75.92 88.57 2.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.648 0.261 . . . . 0.0 111.164 -179.831 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.455 ' CD1' HG11 ' A' ' 66' ' ' VAL . 23.6 t80 -51.93 -29.24 19.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.83 -179.737 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.37 -43.14 39.22 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 113.306 -179.308 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 84.4 mtt-85 -76.12 -35.87 59.1 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -179.263 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.515 ' HA ' HD11 ' A' ' 19' ' ' LEU . 13.8 ptp -67.34 -43.34 81.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.685 0.279 . . . . 0.0 111.054 -179.951 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -64.03 -33.68 76.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.901 0.381 . . . . 0.0 110.155 179.359 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -62.88 -38.04 89.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.207 179.346 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.47 -41.57 46.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.666 179.563 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.42 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 14.9 t80 -53.03 -47.07 68.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.813 179.636 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.87 -38.06 76.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.019 -179.925 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.1 mm100 -64.91 -55.36 19.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.775 179.947 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 14.7 mm100 -69.33 -17.91 63.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.119 179.86 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.71 -28.59 68.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.991 0.424 . . . . 0.0 110.266 179.135 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 81.2 mt -71.4 -37.94 71.49 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.964 179.877 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 0.4 OUTLIER -84.89 -10.77 56.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.653 -179.89 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 31.4 mt -94.3 1.31 55.94 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.7 0.286 . . . . 0.0 111.312 179.559 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.464 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 7.1 t60 -82.81 140.92 43.79 Favored Pre-proline 0 C--N 1.332 -0.195 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.184 179.641 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.464 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 20.5 Cg_endo -62.64 -9.13 14.94 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.461 2.107 . . . . 0.0 113.01 -179.463 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -93.09 -27.08 17.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.774 0.321 . . . . 0.0 110.766 179.628 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.09 29.08 4.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.747 179.825 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 62.57 82.45 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.47 -179.913 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -155.52 -177.89 29.2 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.492 179.958 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.26 136.14 33.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.854 0.359 . . . . 0.0 110.801 -179.959 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 58.3 m80 -67.61 -42.39 82.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.925 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.34 -34.98 77.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 -179.949 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.0 mt -60.22 -49.14 78.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.844 -179.958 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 11.0 tpt -53.09 -38.52 62.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.803 179.79 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -76.07 -30.72 58.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.81 179.825 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -61.62 -53.04 61.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.665 179.898 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.42 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 11.6 tp -58.42 -47.43 83.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.062 179.793 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.67 -45.22 89.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.905 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.7 m -72.89 -32.51 65.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.63 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 10.0 mt -81.16 -22.78 38.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 -179.941 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.51 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 58.9 t-105 -90.47 -26.62 19.72 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 179.851 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.432 ' HA2' ' NZ ' ' A' ' 63' ' ' LYS . . . -68.94 -65.33 2.66 Favored Glycine 0 C--N 1.333 0.41 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.047 179.344 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.531 HG22 ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -50.71 -49.53 57.42 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 178.821 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.531 ' N ' HG22 ' A' ' 61' ' ' THR . 5.6 t80 -45.62 -53.82 8.61 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 113.459 -1.7 . . . . 0.0 109.34 177.588 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.552 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 0.2 OUTLIER -53.2 -39.28 63.57 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.167 -1.379 . . . . 0.0 111.246 179.624 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.423 ' HB ' ' O ' ' A' ' 61' ' ' THR . 89.3 m -49.94 -37.61 32.73 Favored 'General case' 0 CA--C 1.521 -0.158 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 178.807 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -85.3 -29.74 24.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.878 178.305 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.552 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 83.9 t -58.19 -42.52 83.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.404 -179.73 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.29 -37.39 85.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.091 -179.767 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -90.43 -13.17 35.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.711 -179.913 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.512 HD11 ' C ' ' A' ' 69' ' ' LEU . 0.6 OUTLIER -60.52 -39.07 86.46 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.935 0.398 . . . . 0.0 110.224 179.937 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.98 0.82 14.58 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.894 -179.877 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.6 mmt -117.93 -27.74 6.09 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.716 179.728 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -97.53 -67.46 0.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.854 179.76 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.69 79.13 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.786 -179.936 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -166.59 65.31 0.2 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.657 179.958 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -79.81 178.48 53.75 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.374 179.945 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.1 t -75.21 122.85 24.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.914 0.388 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 166.41 73.84 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.235 179.991 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -89.12 114.81 26.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.796 0.331 . . . . 0.0 110.917 -179.739 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 179.9 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.781 0.325 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -60.51 122.72 15.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -146.67 94.08 2.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.262 179.93 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.6 m -137.53 129.88 41.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.115 0.483 . . . . 0.0 111.57 -179.485 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.713 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 1.6 pt? -85.02 134.63 34.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.411 179.452 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.3 p -65.58 177.15 1.26 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.527 -178.841 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -56.2 -36.48 68.45 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.424 179.724 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.52 -39.31 88.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.948 179.767 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.713 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 10.0 m-20 -70.85 -56.28 6.65 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.98 -179.799 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 11' ' ' GLU . 6.9 ptmt -57.75 -35.65 71.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.615 -179.891 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.437 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 4.5 mm-40 -73.48 -33.15 64.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.067 0.461 . . . . 0.0 109.831 178.857 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 -68.66 -26.95 65.57 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.112 179.044 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.463 HD21 ' CD2' ' A' ' 62' ' ' PHE . 2.7 tp -72.32 -35.37 68.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.782 179.068 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.48 ' CD2' HD23 ' A' ' 19' ' ' LEU . 13.5 mt -69.25 -38.69 78.59 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.839 179.788 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -55.25 37.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.741 179.903 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.568 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -70.69 -11.36 60.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.163 179.89 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.465 HD13 ' N ' ' A' ' 34' ' ' TYR . 1.1 mm? -90.14 -7.69 53.07 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.749 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.93 19.5 2.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.217 0.532 . . . . 0.0 110.286 -178.744 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.513 ' CD1' HD22 ' A' ' 23' ' ' LEU . 6.4 tt -113.01 113.26 49.58 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.571 -179.574 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.512 ' O ' HD12 ' A' ' 23' ' ' LEU . 84.0 Cg_exo -46.48 166.07 0.08 OUTLIER 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.92 2.413 . . . . 0.0 113.582 -178.531 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.421 ' CG ' HD13 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -90.16 -3.3 57.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.192 179.401 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -78.96 -32.53 45.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.038 0.447 . . . . 0.0 111.065 -178.956 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.513 HD22 ' CD1' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -101.06 15.16 29.62 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.991 179.983 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 53.6 t-105 -54.84 98.37 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.195 179.533 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 156.41 -28.73 0.56 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.552 -0.832 . . . . 0.0 112.91 179.873 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -75.85 95.29 3.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.74 0.305 . . . . 0.0 111.285 -179.714 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.464 ' CD1' HG12 ' A' ' 66' ' ' VAL . 35.3 t80 -52.05 -33.62 39.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.58 -179.831 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.13 -34.16 80.42 Favored Glycine 0 CA--C 1.517 0.198 0 C-N-CA 120.731 -0.747 . . . . 0.0 113.141 -179.407 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.458 ' HB3' HD13 ' A' ' 19' ' ' LEU . 7.4 mtt85 -80.98 -46.19 15.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.813 0.307 . . . . 0.0 111.333 -179.626 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.413 ' HG2' ' HA ' ' A' ' 27' ' ' PHE . 16.1 ptp -59.69 -45.62 91.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.684 0.278 . . . . 0.0 110.933 -179.864 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -63.22 -43.44 98.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.368 179.668 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -55.78 -34.31 65.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.184 0.516 . . . . 0.0 110.088 179.214 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.1 -48.09 13.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.31 179.277 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.465 ' N ' HD13 ' A' ' 17' ' ' LEU . 15.3 t80 -47.55 -43.84 25.44 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.26 179.853 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -74.32 -36.54 63.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.936 0.398 . . . . 0.0 110.752 179.982 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -36.65 84.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.673 179.858 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.568 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 21.7 mm100 -90.13 -19.25 24.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.21 -179.929 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.3 m -75.27 -29.98 60.3 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.903 0.383 . . . . 0.0 110.664 179.57 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.9 mt -64.4 -31.79 73.15 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.126 -179.823 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.0 pp -88.15 -18.39 28.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.844 179.928 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.3 mt -88.22 13.06 12.24 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 120.76 0.314 . . . . 0.0 111.001 179.24 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.447 ' ND1' ' HD2' ' A' ' 43' ' ' PRO . 49.6 t60 -89.58 130.92 41.6 Favored Pre-proline 0 CA--C 1.53 0.199 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.358 179.767 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.447 ' HD2' ' ND1' ' A' ' 42' ' ' HIS . 13.3 Cg_endo -56.31 -15.12 13.91 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.71 2.273 . . . . 0.0 113.051 -179.613 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.424 ' HB2' ' CD2' ' A' ' 42' ' ' HIS . 1.9 t70 -82.44 -20.35 37.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.689 0.28 . . . . 0.0 111.112 179.888 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.6 mmtt -108.19 30.92 5.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.926 0.393 . . . . 0.0 110.938 -179.876 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.44 50.95 34.51 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.649 -179.991 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -122.32 172.09 15.56 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.387 179.834 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.33 150.83 22.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.814 0.34 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.433 ' CE1' ' HG3' ' A' ' 43' ' ' PRO . 5.3 m-70 -79.17 -31.41 43.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.87 -35.53 64.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.52 -179.725 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.2 mp -62.82 -51.71 65.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.279 -179.61 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 9.2 tpt -54.08 -46.72 72.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.352 -179.714 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -71.98 -24.84 61.65 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.079 -179.961 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -47.87 70.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.991 0.424 . . . . 0.0 110.65 179.634 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.459 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 12.7 tp -64.1 -37.8 88.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.923 -179.943 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.43 -36.87 85.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.765 179.901 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.37 -30.98 68.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 179.806 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.622 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 18.4 mt -83.77 -30.77 26.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.7 179.731 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.576 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 62.5 t-105 -88.62 -13.09 40.75 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.924 179.415 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.401 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -78.46 -63.23 2.16 Favored Glycine 0 C--N 1.336 0.576 0 C-N-CA 121.175 -0.536 . . . . 0.0 112.198 179.39 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.579 ' CG2' HD23 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -55.63 -49.7 72.16 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 179.268 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.553 ' N ' ' CG2' ' A' ' 61' ' ' THR . 5.5 t80 -44.2 -48.85 9.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 113.484 -1.689 . . . . 0.0 109.482 178.067 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.576 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 2.6 ttmt -57.81 -34.94 70.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.037 -1.438 . . . . 0.0 110.996 179.754 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.2 m -47.99 -37.64 15.15 Favored 'General case' 0 CA--C 1.52 -0.2 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.08 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.448 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 17.9 mm-40 -84.79 -32.36 23.41 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.536 178.646 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.556 ' HB ' ' HA ' ' A' ' 63' ' ' LYS . 90.6 t -58.83 -36.56 61.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.813 179.841 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -65.52 -35.45 80.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.768 179.907 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.448 ' ND2' ' HA ' ' A' ' 65' ' ' GLU . 15.9 p30 -90.53 -15.62 30.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.66 -179.848 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.528 HD11 ' C ' ' A' ' 69' ' ' LEU . 0.6 OUTLIER -63.72 -38.8 92.47 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-O 120.796 0.331 . . . . 0.0 110.274 -179.892 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -71.81 1.11 7.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 112.168 -179.594 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.4 mtt -107.33 -29.46 9.27 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.827 179.666 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -100.29 -17.19 17.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.416 -179.782 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.08 -55.98 2.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.885 0.374 . . . . 0.0 111.096 -179.904 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -55.67 -82.12 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.648 -179.896 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 128.33 56.67 0.11 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.333 179.947 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 7.3 t -65.02 119.62 11.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.879 0.371 . . . . 0.0 111.098 -179.809 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -100.68 46.29 1.35 Allowed Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.224 179.781 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -89.97 31.52 0.97 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.761 0.315 . . . . 0.0 111.136 -179.891 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.946 -179.96 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.813 0.34 . . . . 0.0 111.222 . . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -90.91 17.11 8.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.704 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 43.3 mtt85 -136.83 75.38 1.53 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.547 179.913 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.434 ' O ' HG23 ' A' ' 4' ' ' VAL . 17.6 m -134.84 126.13 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.173 0.511 . . . . 0.0 111.307 -179.942 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.726 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER -88.91 144.29 26.29 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.996 179.665 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.4 p -90.4 -170.08 2.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.511 -179.105 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.407 ' HA ' ' CG ' ' A' ' 10' ' ' LYS . 34.1 mtp180 -61.76 -35.87 79.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.778 179.776 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.6 -42.79 81.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.319 -179.684 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.726 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 13.8 m-20 -72.39 -54.36 9.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.83 -179.926 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.407 ' CG ' ' HA ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -55.1 -33.03 62.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.831 0.348 . . . . 0.0 110.298 179.642 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -66.19 -37.31 85.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.089 179.153 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 -63.64 -37.5 87.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.856 179.436 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.515 ' HB2' ' HB3' ' A' ' 58' ' ' LEU . 4.3 tp -63.4 -34.03 76.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.87 178.938 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.55 ' CD2' HD21 ' A' ' 19' ' ' LEU . 11.2 mt -68.66 -38.81 80.71 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.139 -179.921 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -58.33 -44.79 88.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.405 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 1.0 OUTLIER -77.1 -13.08 60.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.144 179.836 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.424 ' N ' HD21 ' A' ' 17' ' ' LEU . 0.9 OUTLIER -90.57 -12.79 36.01 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.724 -179.781 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.5 18.73 2.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.219 0.533 . . . . 0.0 110.4 -178.69 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.597 ' HG ' HD11 ' A' ' 23' ' ' LEU . 1.6 tt -106.82 114.64 61.48 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.277 -179.604 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.45 ' HB2' ' CD2' ' A' ' 23' ' ' LEU . 44.3 Cg_exo -52.18 -179.48 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.518 2.146 . . . . 0.0 112.637 -179.392 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.6 mtt180 -84.98 -25.01 28.02 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.819 -179.508 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -64.21 -8.16 11.57 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.196 -0.456 . . . . 0.0 112.022 -179.755 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.597 HD11 ' HG ' ' A' ' 19' ' ' LEU . 0.5 OUTLIER -132.98 17.19 4.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.865 0.364 . . . . 0.0 110.896 -179.785 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 39.7 t-105 -53.14 -23.01 7.17 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.045 179.837 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.2 -22.96 23.58 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.182 179.495 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -58.72 93.84 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.882 0.373 . . . . 0.0 110.729 179.844 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.435 ' HA ' ' HG2' ' A' ' 30' ' ' MET . 15.0 t80 -58.51 -36.73 74.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.403 -179.656 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.432 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -69.02 -35.47 78.72 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.851 -0.69 . . . . 0.0 113.485 -179.133 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.428 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -83.89 -28.65 27.79 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -178.939 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.435 ' HG2' ' HA ' ' A' ' 27' ' ' PHE . 9.9 ptp -73.12 -44.88 59.64 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.889 -179.915 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.416 ' N ' ' HG3' ' A' ' 30' ' ' MET . 7.2 tt0 -68.41 -36.57 79.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.897 0.379 . . . . 0.0 110.29 179.512 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.432 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -61.39 -38.14 85.96 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.22 179.306 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.05 -41.92 40.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.934 179.82 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.47 ' CE2' ' CG ' ' A' ' 59' ' ' TRP . 8.2 t80 -49.82 -46.16 50.85 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.848 0.356 . . . . 0.0 110.7 179.858 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -76.42 -35.87 58.33 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.975 179.97 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.412 ' HB2' ' O ' ' A' ' 32' ' ' GLN . 0.3 OUTLIER -66.14 -34.57 78.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.738 179.825 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.421 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 28.4 mm100 -87.62 -20.1 26.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.162 179.938 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 86.2 p -76.06 -32.51 59.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.669 179.577 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.0 mt -65.45 -35.35 80.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.996 -179.837 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 2.7 pp -86.12 -15.39 41.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.731 0.3 . . . . 0.0 111.039 179.772 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mt -95.14 7.28 46.61 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.906 0.384 . . . . 0.0 110.783 179.311 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.485 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 7.3 t-80 -70.51 141.74 88.34 Favored Pre-proline 0 N--CA 1.454 -0.239 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.524 179.95 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.485 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 28.6 Cg_endo -64.22 -19.16 65.56 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.807 2.338 . . . . 0.0 113.497 -178.961 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.41 ' HB2' ' HD1' ' A' ' 42' ' ' HIS . 0.6 OUTLIER -88.04 -20.25 26.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.672 0.272 . . . . 0.0 111.222 -179.986 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.6 mmtt -99.14 30.33 3.5 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.897 0.379 . . . . 0.0 110.769 179.732 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.37 75.4 0.35 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.622 179.992 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -155.62 174.45 33.65 Favored Glycine 0 C--N 1.329 0.181 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.477 179.893 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.24 118.69 29.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.815 0.341 . . . . 0.0 110.744 179.962 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 46.9 p-80 -59.38 -41.8 90.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.197 -179.79 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.6 -35.7 63.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.742 0.306 . . . . 0.0 111.478 -179.752 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.4 mp -63.36 -54.22 40.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.019 -179.942 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.12 -43.34 66.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 -179.782 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -70.0 -34.8 73.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.764 179.877 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -64.05 -36.85 85.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.596 179.793 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.454 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 12.3 tp -67.69 -35.59 79.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.798 179.89 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -63.03 -31.79 73.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.1 t -70.45 -47.92 58.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.186 -179.932 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.515 ' HB3' ' HB2' ' A' ' 13' ' ' LEU . 2.4 mt -70.26 -29.86 66.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.103 -179.798 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.58 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 68.0 t-105 -88.04 -18.28 29.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.319 179.784 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.14 -65.15 2.25 Favored Glycine 0 C--N 1.334 0.446 0 C-N-CA 120.942 -0.646 . . . . 0.0 112.16 179.44 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.531 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -53.33 -49.86 66.19 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 107.376 -1.342 . . . . 0.0 107.376 179.208 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.531 ' N ' ' CG2' ' A' ' 61' ' ' THR . 3.7 t80 -44.73 -49.28 10.62 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 113.481 -1.69 . . . . 0.0 109.668 177.787 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.58 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 1.7 ttmt -57.45 -38.19 74.06 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.327 -1.306 . . . . 0.0 111.456 -179.971 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.1 m -47.02 -37.45 9.31 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.353 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -85.44 -32.83 22.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.723 178.187 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.54 ' HB ' ' HA ' ' A' ' 63' ' ' LYS . 81.7 t -56.36 -34.78 41.4 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.872 179.84 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -69.66 -39.67 76.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.179 -179.675 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.4 p30 -88.83 -11.56 44.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.516 179.856 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.451 ' CD2' ' HA ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -59.63 -33.22 71.23 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 121.022 0.439 . . . . 0.0 110.731 179.815 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -75.02 1.24 13.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.057 -179.672 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.1 mtt -119.91 -42.02 2.63 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.56 179.711 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -59.74 166.73 2.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.874 179.879 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.63 41.68 1.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.996 179.935 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -98.28 41.15 2.31 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.342 179.94 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 139.01 -101.46 0.32 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.296 -179.896 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.6 t -83.51 119.91 25.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.777 0.323 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -122.68 -78.28 0.43 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.25 179.909 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -83.15 107.28 15.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.372 . . . . 0.0 110.586 179.761 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.186 -179.801 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.417 ' HE1' HG21 ' A' ' 64' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 120.749 0.309 . . . . 0.0 111.146 . . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -128.0 -71.39 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.149 -179.644 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.1 tpm_? -104.89 94.94 5.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.592 179.909 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.3 m -82.56 123.79 38.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.47 0.652 . . . . 0.0 110.985 -179.733 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.625 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.6 OUTLIER -90.43 144.38 25.86 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.553 -179.847 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.6 p -89.78 -177.9 5.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.773 179.796 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.01 -35.25 64.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.277 -179.843 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.78 -34.37 64.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.447 -179.811 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.625 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 24.4 m-20 -78.2 -50.57 11.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.017 -179.893 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -60.0 -35.26 74.65 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.005 0.431 . . . . 0.0 110.04 179.442 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.459 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 2.2 mm-40 -69.61 -33.12 72.22 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 178.857 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.6 -33.58 75.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.798 178.963 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 tp -61.2 -38.76 87.72 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.808 179.036 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.431 ' CD2' HD12 ' A' ' 19' ' ' LEU . 36.8 mt -66.77 -35.57 80.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.103 179.753 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -54.32 -61.88 2.02 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.736 179.939 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.7 mp -68.27 -12.41 60.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 179.546 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.505 HD12 ' HB2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -90.08 -10.25 45.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.967 -179.8 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.31 19.11 2.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.359 0.599 . . . . 0.0 110.11 -178.875 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.696 ' HG ' ' HA ' ' A' ' 30' ' ' MET . 2.6 tm? -111.97 98.9 43.87 Favored Pre-proline 0 N--CA 1.446 -0.637 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.48 -179.341 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.544 ' O ' HD13 ' A' ' 23' ' ' LEU . 88.5 Cg_exo -39.92 165.02 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.488 2.792 . . . . 0.0 114.134 -178.306 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.423 ' HA ' HD11 ' A' ' 14' ' ' LEU . 4.6 ptt-85 -90.21 -5.37 56.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.023 179.164 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -34.85 60.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.977 0.417 . . . . 0.0 110.958 -179.3 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -98.31 4.12 48.69 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.22 179.867 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 59.7 t-105 -44.68 98.29 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.357 179.607 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.96 -26.1 0.63 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.607 -179.998 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.419 ' O ' ' HG2' ' A' ' 30' ' ' MET . 12.8 t0 -81.91 82.5 7.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.731 0.301 . . . . 0.0 111.018 -179.834 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.473 ' CD1' HG11 ' A' ' 66' ' ' VAL . 28.7 t80 -42.06 -31.34 0.35 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.917 -179.77 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.438 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -67.95 -37.96 88.4 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.931 -179.674 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.0 mtm180 -81.09 -49.12 11.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.663 0.268 . . . . 0.0 111.567 -179.427 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.696 ' HA ' ' HG ' ' A' ' 19' ' ' LEU . 8.4 ptp -58.53 -47.18 85.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.467 -179.467 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -63.82 -40.31 96.31 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.52 179.844 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.438 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.7 OUTLIER -58.15 -39.96 80.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.078 0.466 . . . . 0.0 110.223 179.348 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.37 -39.6 71.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.289 179.188 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.505 ' HB2' HD12 ' A' ' 17' ' ' LEU . 14.0 t80 -54.11 -46.55 72.15 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.562 179.441 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.5 mttm -64.27 -43.61 94.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.086 179.937 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -58.78 -35.89 73.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.875 0.369 . . . . 0.0 110.771 179.905 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.467 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 26.5 mm-40 -90.26 -19.89 23.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.231 -179.891 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.3 p -72.45 -31.42 65.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.78 0.324 . . . . 0.0 110.605 179.739 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 mt -68.44 -33.7 74.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.455 -179.654 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.7 pp -86.22 -15.67 40.1 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.651 0.262 . . . . 0.0 110.845 179.643 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 35.1 mt -90.72 4.86 50.35 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 120.786 0.326 . . . . 0.0 110.798 179.377 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.514 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 2.6 t-80 -90.15 137.72 27.74 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.435 179.921 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.514 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 18.5 Cg_endo -60.03 -13.94 25.8 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.6 2.2 . . . . 0.0 112.766 -179.86 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.77 -18.5 34.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.672 0.272 . . . . 0.0 110.907 179.562 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -117.54 30.21 7.41 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.026 -179.944 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 75.51 42.14 28.04 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.705 179.83 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' A' ' 43' ' ' PRO . . . -122.13 167.24 14.7 Favored Glycine 0 C--N 1.329 0.155 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 179.871 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.19 154.71 19.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.705 0.288 . . . . 0.0 110.637 179.938 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.455 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 10.4 t-160 -83.23 -29.69 28.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.025 -179.941 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.94 -34.54 44.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.401 -179.786 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.6 mp -63.74 -51.35 65.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.783 -179.878 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 10.8 tpt -57.22 -30.98 65.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.98 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 12.6 mm-40 -80.45 -39.29 28.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.775 179.931 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -59.99 -49.53 77.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.853 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.4 tp -66.33 -32.84 74.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.706 179.826 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.1 -35.37 76.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.605 179.852 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.78 -40.99 79.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.478 179.613 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.485 ' O ' HD22 ' A' ' 5' ' ' LEU . 6.0 mt -70.83 -28.89 64.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.564 179.76 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.565 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 70.1 t-105 -90.49 -20.01 23.19 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 179.255 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.03 -63.95 2.42 Favored Glycine 0 C--N 1.336 0.57 0 C-N-CA 121.062 -0.59 . . . . 0.0 112.294 179.388 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.532 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -53.3 -49.48 66.93 Favored 'General case' 0 CA--C 1.51 -0.58 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 179.143 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.532 ' N ' ' CG2' ' A' ' 61' ' ' THR . 2.0 t80 -45.27 -50.67 11.66 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 113.428 -1.715 . . . . 0.0 109.322 177.644 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.575 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 0.9 OUTLIER -59.4 -35.71 74.46 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.31 -1.314 . . . . 0.0 110.81 179.546 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.466 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 26.2 m -51.95 -36.58 49.85 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.102 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 69' ' ' LEU . 2.1 mm-40 -83.67 -28.85 28.08 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.12 -0.946 . . . . 0.0 109.047 177.774 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.575 ' HB ' ' HA ' ' A' ' 63' ' ' LYS . 74.1 t -63.79 -62.07 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.101 179.6 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.466 ' CE2' ' HA ' ' A' ' 64' ' ' THR . 1.4 p90 -50.95 -28.42 9.75 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.986 0.422 . . . . 0.0 110.734 -179.802 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -90.77 -23.14 20.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.07 179.512 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.473 ' CD2' ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -59.08 -32.67 70.0 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.836 0.35 . . . . 0.0 110.801 -179.553 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -76.97 1.02 18.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.888 -179.795 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -110.38 20.93 17.26 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.834 179.686 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -111.01 -33.44 6.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.914 -179.866 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.9 tt -82.3 87.63 6.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.687 -179.983 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 140.36 -41.72 1.27 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.388 179.973 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.09 175.13 33.25 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.429 -179.966 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 24.9 p -77.41 126.39 30.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 0.0 110.797 -179.833 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -169.52 65.91 0.17 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.44 179.889 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -98.89 82.19 2.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.919 0.39 . . . . 0.0 110.696 -179.978 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.908 179.899 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpp? . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.783 0.325 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -62.41 -174.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.744 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.8 mtt180 -101.66 80.76 2.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.977 179.965 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.7 m -138.0 124.14 26.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.254 0.549 . . . . 0.0 111.209 179.81 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.715 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 1.9 pt? -88.05 138.58 31.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.725 -179.975 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.6 p -77.11 178.51 6.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.417 -179.031 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.6 ttt-85 -56.19 -32.91 64.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.709 179.798 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.61 -37.19 76.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.99 179.915 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.715 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -64.72 -60.26 3.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.895 -179.998 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.582 ' N ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -57.51 -37.8 73.6 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.266 0.555 . . . . 0.0 109.767 179.638 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -68.96 -26.7 65.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.753 178.47 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.2 -30.46 25.76 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.174 179.356 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.456 HD23 ' CD2' ' A' ' 62' ' ' PHE . 1.5 tp -67.42 -32.6 73.59 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.021 179.302 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.436 HD12 ' CE3' ' A' ' 24' ' ' TRP . 16.1 mt -69.58 -40.97 76.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.792 179.73 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -54.31 -47.27 72.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.717 179.924 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.468 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 0.4 OUTLIER -78.39 -15.65 58.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.997 179.697 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.412 ' N ' HD21 ' A' ' 17' ' ' LEU . 1.3 mm? -90.49 -6.57 54.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.727 -179.999 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 mttp 53.37 20.14 1.86 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.34 0.591 . . . . 0.0 110.108 -178.846 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.559 ' CD1' HD23 ' A' ' 23' ' ' LEU . 3.6 tt -112.12 110.03 54.11 Favored Pre-proline 0 N--CA 1.449 -0.507 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.16 -179.062 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.507 ' O ' HD13 ' A' ' 23' ' ' LEU . 76.0 Cg_exo -49.57 170.06 0.1 Allowed 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.638 2.226 . . . . 0.0 113.095 -179.03 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.71 -8.93 51.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.08 179.489 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.32 -36.34 74.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.157 0.503 . . . . 0.0 110.752 -179.397 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.559 HD23 ' CD1' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -100.76 11.82 38.76 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.153 179.839 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.439 ' CH2' ' HB2' ' A' ' 10' ' ' LYS . 66.5 t-105 -51.73 92.54 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.243 179.364 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 161.15 -27.14 0.28 Allowed Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.812 179.868 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -76.6 87.74 3.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.815 0.34 . . . . 0.0 111.133 -179.747 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.484 ' CD1' ' CG1' ' A' ' 66' ' ' VAL . 28.0 t80 -44.46 -46.98 9.92 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.699 -179.967 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.31 -34.45 67.83 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.953 -179.595 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.43 -55.41 5.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.664 0.269 . . . . 0.0 111.043 -179.727 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.405 ' HA ' HD12 ' A' ' 19' ' ' LEU . 10.1 ptp -56.21 -46.64 79.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.223 -179.789 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -59.92 -34.48 73.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.898 0.38 . . . . 0.0 110.693 179.838 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -60.52 -41.91 95.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.559 179.638 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.53 -41.68 54.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.848 179.677 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.487 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 10.0 t80 -49.3 -48.67 46.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.551 179.644 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.7 mmtt -69.22 -33.03 72.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.676 179.681 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -66.56 -51.68 53.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.95 -179.984 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 13.2 mp0 -74.88 -20.1 59.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.809 0.338 . . . . 0.0 111.326 -179.72 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.4 -28.05 68.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.525 179.415 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.6 mt -77.98 -30.47 50.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.272 -179.845 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.435 HD22 ' HA ' ' A' ' 37' ' ' GLN . 1.5 pp -89.67 -17.07 29.08 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.675 0.274 . . . . 0.0 110.961 179.524 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 73.0 mt -94.92 14.81 20.43 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.875 0.369 . . . . 0.0 110.267 178.681 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.546 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 9.1 t-80 -86.76 137.61 33.66 Favored Pre-proline 0 C--N 1.332 -0.173 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.573 -179.863 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.546 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 29.0 Cg_endo -62.67 -9.66 16.87 Favored 'Trans proline' 0 CA--C 1.531 0.331 0 C-N-CA 122.835 2.357 . . . . 0.0 113.257 -179.466 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -90.16 -27.1 19.81 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.691 0.282 . . . . 0.0 111.187 179.913 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt -95.46 31.08 2.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.088 -179.974 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.84 33.4 83.98 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.438 -179.845 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -103.0 -179.47 26.39 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.529 179.936 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.2 148.13 23.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.332 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -83.21 -45.27 14.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.899 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.91 -18.72 65.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.703 -179.909 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.4 mt -76.22 -49.13 17.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.762 0.315 . . . . 0.0 111.088 -179.799 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.67 -49.77 56.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.098 -179.909 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.427 ' HA ' ' OD1' ' A' ' 56' ' ' ASN . 0.9 OUTLIER -64.77 -19.63 65.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.993 179.76 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -76.17 -29.95 57.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 110.707 179.906 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.487 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 7.3 tp -80.14 -54.38 5.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.332 -179.647 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.427 ' OD1' ' HA ' ' A' ' 53' ' ' GLN . 9.1 p30 -58.36 -45.22 88.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.679 0.276 . . . . 0.0 111.266 -179.46 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.7 t -61.94 -29.48 70.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.813 0.34 . . . . 0.0 110.741 179.826 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.6 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 7.4 mt -88.28 -26.88 22.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.761 179.602 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.524 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 57.7 t-105 -87.84 -15.49 36.64 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.809 179.507 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.449 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -79.21 -61.1 2.41 Favored Glycine 0 C--N 1.336 0.552 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.572 179.041 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.562 ' CG2' HD21 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -54.85 -50.35 68.88 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 178.425 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.561 ' N ' ' CG2' ' A' ' 61' ' ' THR . 4.5 t80 -44.24 -52.67 7.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 113.519 -1.673 . . . . 0.0 109.363 177.842 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.56 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 1.1 ttmt -53.3 -39.5 64.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.304 -1.317 . . . . 0.0 111.245 179.489 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 41.4 m -47.87 -37.56 14.27 Favored 'General case' 0 CA--C 1.521 -0.138 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 178.995 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.404 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 2.4 mm-40 -85.71 -31.17 22.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.73 178.375 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.56 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 99.0 t -58.17 -38.25 67.02 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.154 179.966 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.24 -35.64 81.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.846 -179.755 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.404 ' ND2' ' HA ' ' A' ' 65' ' ' GLU . 20.8 p30 -90.73 -16.98 27.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.592 179.985 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.458 ' CD1' ' C ' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -59.48 -29.79 68.08 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.717 0.294 . . . . 0.0 110.731 -179.495 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -74.0 0.98 11.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.078 0.466 . . . . 0.0 111.812 -179.713 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.5 mtt -102.8 -23.81 13.75 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.612 179.44 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -69.96 106.73 3.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.942 179.909 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.9 pp -119.05 7.37 11.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.334 179.799 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 165.28 -176.1 40.98 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.624 -179.996 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.4 -19.69 59.97 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.799 -179.988 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.5 m -90.78 113.73 25.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.749 0.309 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -136.28 -48.75 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.705 -179.884 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -155.39 98.54 1.98 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.946 0.403 . . . . 0.0 111.189 -179.781 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.66 179.812 . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.912 0.387 . . . . 0.0 111.27 . . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -171.04 -64.8 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.511 179.867 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.53 89.48 6.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.278 179.481 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 4' ' ' VAL . 25.4 m -138.5 122.57 20.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.157 0.503 . . . . 0.0 110.962 -179.835 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.796 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER -88.51 144.4 26.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.385 0.612 . . . . 0.0 112.229 179.885 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.1 p -90.12 -175.71 4.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.565 -179.934 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -38.63 70.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.007 179.856 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.96 -32.36 73.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.733 -179.475 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.796 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 27.1 m-20 -85.65 -50.45 7.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.144 -179.725 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.532 ' HE2' ' CZ2' ' A' ' 24' ' ' TRP . 0.6 OUTLIER -57.89 -34.66 70.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.91 0.386 . . . . 0.0 110.164 179.659 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -69.57 -31.47 69.67 Favored 'General case' 0 C--O 1.233 0.184 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.702 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.409 ' HB3' ' O ' ' A' ' 9' ' ' ASP . 20.2 ttt180 -61.82 -34.88 76.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.282 178.627 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.417 HD21 ' CD2' ' A' ' 62' ' ' PHE . 3.3 tp -68.21 -31.38 70.85 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.562 178.583 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.451 ' CD2' HD21 ' A' ' 19' ' ' LEU . 12.4 mt -73.71 -41.62 62.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.86 179.668 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -53.05 -45.28 67.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.689 -179.942 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.448 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -77.71 -17.45 57.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.868 179.707 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.449 ' N ' HD21 ' A' ' 17' ' ' LEU . 1.5 mm? -89.0 -8.97 53.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.976 -179.548 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 53.96 20.05 2.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.302 0.572 . . . . 0.0 110.168 -178.847 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.504 ' CD2' HD21 ' A' ' 23' ' ' LEU . 4.1 tt -108.92 109.07 61.06 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.797 -179.199 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.511 ' O ' HD11 ' A' ' 23' ' ' LEU . 78.1 Cg_exo -48.88 165.08 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.795 2.33 . . . . 0.0 113.438 -178.629 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.441 ' HG3' HD12 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -83.9 -3.11 57.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.911 179.342 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -77.67 -33.68 53.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.032 0.444 . . . . 0.0 111.014 -179.022 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.528 ' O ' ' CD2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -109.67 20.06 18.51 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.874 179.805 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.532 ' CZ2' ' HE2' ' A' ' 10' ' ' LYS . 58.2 t-105 -53.12 -19.21 2.69 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.672 179.522 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.31 -14.06 79.45 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.798 -0.715 . . . . 0.0 113.262 -179.794 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -81.56 119.76 24.19 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.831 0.316 . . . . 0.0 111.214 -179.705 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.45 ' CE1' HG12 ' A' ' 66' ' ' VAL . 23.9 t80 -79.28 -41.68 27.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.206 -179.924 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.78 -29.13 74.45 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.892 -179.598 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.18 -43.78 23.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.618 0.246 . . . . 0.0 111.41 -179.552 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 18.1 ptp -62.54 -45.78 91.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.264 -179.636 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -66.0 -33.65 76.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.7 0.286 . . . . 0.0 110.779 -179.991 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -42.68 99.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.496 179.641 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.65 -38.01 62.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.895 179.835 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.48 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 9.0 t80 -54.31 -45.41 72.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.638 179.805 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.37 -28.63 62.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.966 -179.872 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -66.76 -45.96 76.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.941 -179.922 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 32.2 mm-40 -78.4 -19.16 53.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.221 179.996 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.7 m -65.7 -28.41 69.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.667 179.505 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.62 -32.14 60.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 -179.866 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.6 pp -89.95 -19.04 24.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.193 179.958 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.4 mt -94.46 15.09 18.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.615 179.327 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.419 ' ND1' ' HD2' ' A' ' 43' ' ' PRO . 77.7 t60 -89.06 135.11 32.03 Favored Pre-proline 0 N--CA 1.455 -0.217 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.726 -179.86 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.419 ' HD2' ' ND1' ' A' ' 42' ' ' HIS . 82.7 Cg_exo -44.85 -27.25 2.35 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.878 2.385 . . . . 0.0 113.072 -179.879 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -83.18 -22.43 33.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.693 0.282 . . . . 0.0 111.585 -179.474 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.61 31.13 5.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.92 -179.737 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.76 35.43 80.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.424 -179.972 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -98.67 152.3 19.7 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.544 -179.994 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.6 m -89.31 158.04 17.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.757 0.313 . . . . 0.0 110.689 179.944 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.446 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 1.9 t60 -75.67 -63.91 1.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.721 -179.975 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.461 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -50.15 -35.15 24.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.276 179.965 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.86 -50.24 65.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.221 -179.761 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 10.3 tpt -65.11 -39.08 92.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.302 -179.593 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 8.7 mm100 -73.26 -33.71 65.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.779 0.323 . . . . 0.0 110.971 -179.901 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 0.5 OUTLIER -62.7 -40.56 97.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.372 . . . . 0.0 110.776 179.953 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.48 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 11.2 tp -65.34 -43.65 90.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.822 -179.865 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.84 -35.28 79.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.653 179.831 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.64 -38.75 70.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.718 179.881 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.441 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -78.06 -27.34 48.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.618 179.852 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.586 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 59.8 t-105 -88.91 -23.62 22.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.083 179.827 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.4 -63.66 3.16 Favored Glycine 0 C--N 1.334 0.425 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.936 179.193 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.547 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -52.55 -49.88 64.01 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 179.166 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.547 ' N ' ' CG2' ' A' ' 61' ' ' THR . 4.3 t80 -46.34 -54.97 7.99 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 113.265 -1.789 . . . . 0.0 109.4 177.65 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.594 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 0.1 OUTLIER -51.11 -41.24 59.9 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.279 -1.328 . . . . 0.0 111.113 179.854 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.1 m -49.21 -37.09 21.73 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.79 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 69' ' ' LEU . 1.8 mm-40 -85.65 -30.55 23.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.608 178.083 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.594 ' HB ' ' HA ' ' A' ' 63' ' ' LYS . 72.9 t -58.44 -53.38 47.31 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.285 -179.993 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -54.83 -33.25 61.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.756 179.842 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -90.75 -18.45 24.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.768 -179.845 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.558 HD22 HG11 ' A' ' 66' ' ' VAL . 0.5 OUTLIER -64.71 -34.19 77.72 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.838 0.352 . . . . 0.0 110.546 -179.107 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -72.74 0.96 9.39 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.776 -179.949 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -104.49 -25.0 12.96 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.447 179.361 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -73.7 128.88 36.72 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.794 179.783 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -116.24 -37.0 3.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.956 179.959 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -165.39 -158.47 10.64 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.57 -179.962 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 175.53 -37.05 0.1 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.388 179.983 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.46 136.86 47.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.793 0.33 . . . . 0.0 110.846 179.785 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 143.33 -58.84 0.54 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.389 -179.873 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.95 179.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 0.0 110.871 179.916 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 -179.92 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 ttt . . . . . 0 N--CA 1.485 1.323 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.72 136.2 55.16 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.805 0.336 . . . . 0.0 110.919 179.925 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.12 95.11 5.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.741 179.915 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 19.7 m -69.87 127.54 31.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.143 0.497 . . . . 0.0 110.862 179.779 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.59 ' HG ' ' CG2' ' A' ' 61' ' ' THR . 0.6 OUTLIER -90.29 140.5 29.63 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.822 -179.821 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.1 p -90.06 -173.01 3.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.7 ttp-105 -57.83 -32.87 68.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.282 -179.925 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.87 -38.04 58.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.62 -179.502 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.56 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 2.8 m-20 -76.27 -51.79 11.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.291 -179.609 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.428 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -58.39 -32.29 68.48 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.804 0.335 . . . . 0.0 110.29 179.826 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.407 ' HG2' ' HD2' ' A' ' 10' ' ' LYS . 1.6 mm-40 -66.62 -36.21 82.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.139 0.495 . . . . 0.0 109.699 178.809 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -66.15 -37.21 85.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.899 179.24 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.429 ' HB2' ' HB3' ' A' ' 58' ' ' LEU . 2.0 tp -60.82 -31.07 70.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.997 179.009 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.405 ' CD1' ' HA ' ' A' ' 21' ' ' ARG . 12.4 mt -70.47 -37.51 74.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.797 179.665 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -55.31 -49.13 72.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.583 179.779 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.404 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 1.1 mp -72.54 -14.44 61.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.008 179.537 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.452 HD23 ' N ' ' A' ' 17' ' ' LEU . 2.5 mm? -90.14 -10.73 43.47 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.996 -179.771 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.14 19.05 2.64 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.331 0.586 . . . . 0.0 110.011 -178.876 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.516 ' CD1' HD23 ' A' ' 23' ' ' LEU . 3.5 tt -113.08 111.5 50.51 Favored Pre-proline 0 N--CA 1.45 -0.468 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.69 -179.129 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.549 ' O ' HD11 ' A' ' 23' ' ' LEU . 86.1 Cg_exo -44.49 167.28 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.755 2.303 . . . . 0.0 113.553 -178.745 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.405 ' HA ' ' CD1' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -90.12 -12.16 39.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.203 179.745 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.84 -35.17 74.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.006 -179.354 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.549 HD11 ' O ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -97.63 5.71 49.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.36 179.856 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.428 ' CH2' ' HB2' ' A' ' 10' ' ' LYS . 44.3 t-105 -47.49 93.53 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.356 179.546 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 162.35 -30.01 0.28 Allowed Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.812 179.889 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -72.57 90.64 1.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.787 0.327 . . . . 0.0 111.047 -179.768 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.431 ' CE1' HG11 ' A' ' 66' ' ' VAL . 16.2 t80 -46.11 -40.34 10.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.754 -179.886 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.51 -38.11 95.26 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.817 -0.706 . . . . 0.0 113.168 -179.467 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.4 mmt85 -79.37 -49.42 12.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.724 0.262 . . . . 0.0 111.676 -179.311 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.417 ' CG ' ' HA ' ' A' ' 27' ' ' PHE . 15.1 ptp -58.1 -44.33 87.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.681 0.277 . . . . 0.0 111.224 -179.564 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -66.66 -34.82 78.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.724 0.297 . . . . 0.0 110.625 179.858 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.44 -44.4 97.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.208 179.529 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.2 -40.67 71.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.698 179.593 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.435 ' CE2' ' CG ' ' A' ' 59' ' ' TRP . 10.9 t80 -53.06 -55.5 23.34 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.536 179.668 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -63.75 -30.92 71.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.894 179.904 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.35 -34.47 63.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 -179.79 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 13.4 mm100 -90.07 -21.12 22.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.385 -179.637 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 93.1 p -69.85 -28.8 65.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.837 0.351 . . . . 0.0 110.813 179.697 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.96 -38.44 76.09 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.175 -179.782 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.5 pp -84.15 -10.51 57.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.656 0.265 . . . . 0.0 111.055 179.616 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.409 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 9.7 mt -94.31 -8.29 39.41 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.833 0.349 . . . . 0.0 111.307 179.741 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.49 ' ND1' ' HD2' ' A' ' 43' ' ' PRO . 24.8 t60 -66.78 141.57 96.93 Favored Pre-proline 0 CA--C 1.532 0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.249 179.424 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.49 ' HD2' ' ND1' ' A' ' 42' ' ' HIS . 32.9 Cg_endo -65.45 -12.25 34.12 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.65 2.234 . . . . 0.0 113.614 -178.789 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.04 -20.77 23.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.691 0.281 . . . . 0.0 111.179 -179.987 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.461 ' HD3' ' HB3' ' A' ' 42' ' ' HIS . 4.2 mptt -100.93 24.32 9.45 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.726 0.298 . . . . 0.0 110.974 179.881 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 88.5 -17.54 48.12 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.671 -0.776 . . . . 0.0 113.046 179.765 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.72 161.1 36.42 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.532 -179.727 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.35 154.41 19.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.739 0.304 . . . . 0.0 110.913 179.872 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -77.52 -46.94 20.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.796 179.848 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.06 -27.78 34.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.273 179.985 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.409 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 3.0 mp -78.85 -52.02 8.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.821 179.91 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 8.8 tpt -58.28 -28.15 64.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.009 179.83 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -71.72 -35.85 70.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.74 179.849 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -64.31 -53.75 43.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.421 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 11.4 tp -52.99 -51.1 62.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.213 -179.956 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -60.15 -33.56 72.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.91 -41.61 42.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.731 179.929 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.473 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 3.3 mt -75.82 -26.64 57.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.822 179.942 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.538 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 65.0 t-105 -89.9 -24.66 21.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.129 179.874 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.444 ' HA2' ' NZ ' ' A' ' 63' ' ' LYS . . . -69.16 -64.43 3.0 Favored Glycine 0 C--N 1.335 0.474 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.274 179.522 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.59 ' CG2' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -52.86 -49.59 65.5 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 179.138 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.539 ' N ' ' CG2' ' A' ' 61' ' ' THR . 3.6 t80 -45.33 -51.28 11.3 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 113.46 -1.7 . . . . 0.0 109.401 177.647 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.551 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 0.2 OUTLIER -55.71 -36.92 67.72 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.184 -1.371 . . . . 0.0 111.16 179.704 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 40.1 m -47.76 -38.03 14.64 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 109.165 -0.679 . . . . 0.0 109.165 179.214 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -85.61 -30.74 23.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.926 178.252 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.551 ' HB ' ' HA ' ' A' ' 63' ' ' LYS . 82.2 t -58.17 -49.18 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.221 -179.927 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -56.09 -37.25 69.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.236 -179.728 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 18.3 p30 -90.0 -13.49 35.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.715 -179.97 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.506 ' CD2' ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -64.11 -35.22 80.05 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.866 0.365 . . . . 0.0 110.259 -179.903 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.415 ' HG3' ' HG ' ' A' ' 69' ' ' LEU . 2.2 mtp85 -78.12 0.99 22.66 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.816 -179.99 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.0 mtt -104.22 -26.59 12.46 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.096 -179.923 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -67.66 118.51 11.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.856 0.36 . . . . 0.0 110.623 179.933 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.9 tt -129.98 -67.35 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.039 -179.854 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 164.86 78.15 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.564 179.924 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 141.19 173.16 13.48 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.477 -179.965 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 51.9 p -117.39 -38.62 3.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.834 0.349 . . . . 0.0 110.984 179.941 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.11 -71.92 0.29 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.447 179.949 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -76.39 125.34 29.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.77 0.319 . . . . 0.0 110.769 179.972 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.833 -179.994 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.858 0.361 . . . . 0.0 111.385 . . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -125.34 -32.2 2.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 179.939 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.79 91.83 7.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.529 179.931 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 29.3 m -131.28 124.62 55.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.82 -179.669 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.786 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.3 OUTLIER -85.44 148.06 26.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.149 179.167 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.4 p -90.43 -177.16 5.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.025 -179.166 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 31.4 ttm105 -57.86 -32.75 67.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.508 179.605 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.66 -33.28 70.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.76 -179.672 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.786 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 19.1 m-20 -85.46 -48.67 8.76 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 121.168 -0.213 . . . . 0.0 111.255 -179.517 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -60.87 -34.0 73.95 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.49 179.835 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.2 OUTLIER -68.99 -29.37 67.57 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.074 0.464 . . . . 0.0 109.844 178.939 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -67.98 -33.02 73.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.872 178.96 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.576 ' HB2' ' HB3' ' A' ' 58' ' ' LEU . 2.8 tp -66.68 -35.38 80.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.088 179.2 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.413 ' CD2' HD21 ' A' ' 19' ' ' LEU . 14.6 mt -69.58 -37.02 76.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.692 179.774 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.88 -44.11 81.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.519 179.738 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.441 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 10.0 mp -80.46 -16.27 54.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.906 179.481 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.424 ' CD1' ' N ' ' A' ' 34' ' ' TYR . 2.6 mm? -89.98 -8.64 51.19 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.284 -0.416 . . . . 0.0 112.063 -179.823 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.47 19.89 2.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.301 0.572 . . . . 0.0 109.963 -178.64 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.486 ' CD1' HD22 ' A' ' 23' ' ' LEU . 3.6 tt -111.96 108.96 55.2 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.111 -0.95 . . . . 0.0 109.734 -179.416 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.495 ' O ' HD11 ' A' ' 23' ' ' LEU . 73.9 Cg_exo -49.32 169.92 0.1 OUTLIER 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.608 2.206 . . . . 0.0 113.245 -178.794 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.05 -6.56 55.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.009 179.333 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.95 -35.62 66.99 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.125 0.488 . . . . 0.0 110.695 -179.658 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.495 HD11 ' O ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -101.75 10.53 39.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.057 179.7 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 48.8 t-105 -53.18 114.19 1.38 Allowed 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.388 179.743 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 140.58 -24.78 2.62 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.652 -0.785 . . . . 0.0 113.069 179.611 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -76.21 92.28 3.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.828 0.347 . . . . 0.0 111.316 -179.749 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.425 ' CD1' HG13 ' A' ' 66' ' ' VAL . 22.3 t80 -49.18 -32.44 10.31 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.7 179.982 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.94 -38.13 60.27 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.662 -0.78 . . . . 0.0 113.032 -179.578 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.25 -41.14 20.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.715 0.257 . . . . 0.0 111.629 -179.36 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.416 ' HG2' ' HA ' ' A' ' 27' ' ' PHE . 8.9 ptp -63.46 -46.76 84.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.678 0.275 . . . . 0.0 110.982 -179.753 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.425 ' HG3' ' CZ2' ' A' ' 59' ' ' TRP . 38.1 tt0 -65.9 -36.32 83.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.813 0.34 . . . . 0.0 110.586 179.749 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -59.22 -34.93 72.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.072 0.463 . . . . 0.0 110.282 179.451 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.54 -38.71 54.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.505 179.477 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.459 ' HE2' ' HB3' ' A' ' 59' ' ' TRP . 10.8 t80 -56.74 -44.67 81.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.756 179.944 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.418 ' HE3' ' HG2' ' A' ' 31' ' ' GLN . 5.5 mtmt -73.64 -29.74 62.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.771 179.715 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -71.97 -35.11 69.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 32.3 mm-40 -89.26 -19.56 25.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.203 -179.892 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -76.09 -30.97 58.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.598 179.586 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.401 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 0.2 OUTLIER -69.01 -30.92 69.41 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.473 -179.613 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.2 pp -89.85 -17.59 27.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.707 0.289 . . . . 0.0 111.149 -179.954 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 20.6 mt -95.17 -2.62 49.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.161 179.553 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.43 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 12.1 t60 -75.26 141.86 74.48 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 120.711 0.291 . . . . 0.0 110.949 -179.972 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.43 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 70.9 Cg_exo -47.21 -26.9 5.93 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 122.814 2.343 . . . . 0.0 112.668 179.951 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -79.0 -21.29 47.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.396 -179.803 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 39' ' ' LEU . 1.4 mppt? -113.23 30.66 7.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.898 -179.639 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.89 74.87 0.3 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.663 179.996 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -137.78 158.61 24.69 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.464 -179.992 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.06 148.89 22.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.859 0.361 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -69.39 -49.27 56.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.767 179.868 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.13 -24.82 56.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.305 -179.991 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 mp -76.14 -50.11 15.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.957 -179.895 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -27.23 67.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.024 -179.953 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -73.25 -36.16 66.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.932 0.396 . . . . 0.0 110.712 179.779 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -55.51 23.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.057 -179.904 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.449 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 9.5 tp -55.57 -40.82 72.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.221 -179.702 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -63.1 -30.76 71.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.76 -41.96 25.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.274 -179.82 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.576 ' HB3' ' HB2' ' A' ' 13' ' ' LEU . 74.8 mt -75.31 -31.33 60.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.905 -179.744 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.615 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 62.1 t-105 -88.94 -21.64 23.47 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.45 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.28 -60.74 3.96 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.054 179.573 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.535 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -56.79 -49.97 73.75 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 179.25 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.535 ' N ' ' CG2' ' A' ' 61' ' ' THR . 3.6 t80 -43.82 -50.1 7.96 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 113.434 -1.712 . . . . 0.0 109.486 177.758 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.615 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 0.7 OUTLIER -58.16 -39.12 78.02 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.158 -1.383 . . . . 0.0 111.284 179.571 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 76.7 m -47.39 -37.52 11.46 Favored 'General case' 0 CA--C 1.522 -0.117 0 CA-C-O 121.338 0.589 . . . . 0.0 109.411 179.338 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -85.35 -32.12 22.61 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.636 178.287 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.545 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 78.9 t -54.03 -40.24 44.85 Favored 'Isoleucine or valine' 0 C--O 1.231 0.115 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.011 179.951 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -62.97 -29.45 70.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.431 179.538 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -90.63 -22.66 21.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.586 -179.833 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.495 ' CD2' ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -63.57 -37.73 88.42 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.732 0.301 . . . . 0.0 110.678 -179.324 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -78.72 1.11 24.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.09 0.471 . . . . 0.0 111.745 179.932 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.7 mmm -112.55 -48.8 2.99 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.773 179.91 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -59.74 108.62 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 -179.821 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.1 tp -123.51 -58.77 1.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.559 179.696 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.46 -24.66 21.88 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.821 -0.704 . . . . 0.0 113.012 179.804 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.42 -86.9 1.02 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.346 -179.833 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.3 m -69.49 126.13 28.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.802 0.334 . . . . 0.0 110.632 179.821 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -160.02 -67.76 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.47 -179.878 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -85.11 100.32 11.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.983 0.421 . . . . 0.0 110.632 -179.987 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.807 -179.851 . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.687 0.28 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.7 p30 -61.75 132.95 54.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.24 86.93 4.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.649 179.827 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.438 ' O ' HG23 ' A' ' 4' ' ' VAL . 19.4 m -139.31 123.04 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.067 0.46 . . . . 0.0 111.482 179.816 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.749 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER -86.33 145.25 26.98 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.9 179.402 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.9 p -90.17 -171.05 2.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.744 -179.471 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.405 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 20.8 mtm-85 -57.88 -43.77 86.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.829 179.769 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.11 -49.7 76.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.548 -179.587 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.749 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 9.9 m-20 -63.82 -51.44 64.69 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.198 -0.201 . . . . 0.0 110.804 -179.906 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.428 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -60.44 -33.95 73.27 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 179.214 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 7' ' ' ARG . 9.5 mt-10 -69.01 -31.97 71.17 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.441 -0.578 . . . . 0.0 109.441 178.387 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 44.9 ttt85 -67.98 -37.28 81.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.121 179.312 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 tp -64.4 -30.27 71.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.209 179.224 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.438 ' HG ' ' CZ3' ' A' ' 24' ' ' TRP . 11.1 mt -70.16 -39.25 75.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.96 179.725 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -56.32 -50.6 70.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 179.905 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.435 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -72.21 -12.94 61.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.159 179.82 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.485 HD12 ' N ' ' A' ' 34' ' ' TYR . 1.4 mm? -90.33 -10.05 45.52 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -179.524 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mptt 54.39 19.8 2.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.385 0.612 . . . . 0.0 109.99 -178.539 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.512 ' CD1' HD21 ' A' ' 23' ' ' LEU . 2.7 tt -112.07 111.41 53.32 Favored Pre-proline 0 N--CA 1.448 -0.569 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.712 -179.109 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.536 ' O ' HD11 ' A' ' 23' ' ' LEU . 87.1 Cg_exo -42.54 165.9 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.814 2.343 . . . . 0.0 113.376 -178.76 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.2 -8.95 49.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.201 179.822 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.46 -33.87 65.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.371 -179.074 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.536 HD11 ' O ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -97.36 9.75 41.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.541 -179.876 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.438 ' CZ3' ' HG ' ' A' ' 14' ' ' LEU . 52.9 t-105 -52.72 109.49 0.41 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.224 179.567 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 141.8 -26.16 2.38 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.722 179.797 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -78.51 91.64 4.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.771 0.32 . . . . 0.0 111.1 -179.673 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.505 ' CE1' HG11 ' A' ' 66' ' ' VAL . 21.5 t80 -46.83 -29.64 2.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.574 -179.889 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -71.46 -37.56 62.43 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.719 -179.803 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 -79.34 -48.08 14.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.723 0.296 . . . . 0.0 111.555 -179.61 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.409 ' CG ' ' HA ' ' A' ' 27' ' ' PHE . 11.6 ptp -59.67 -49.74 76.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.136 -179.707 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -60.74 -36.74 79.65 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.774 0.321 . . . . 0.0 110.355 179.727 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.434 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.5 OUTLIER -59.35 -45.77 90.45 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.982 0.42 . . . . 0.0 110.08 179.151 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.11 -47.05 69.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.276 179.245 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.525 ' CE2' ' CD1' ' A' ' 59' ' ' TRP . 10.0 t80 -47.43 -48.89 26.31 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.644 179.759 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.34 -29.22 64.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.641 179.666 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -31.85 69.3 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.743 179.901 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.485 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 13.1 mm100 -85.14 -20.72 29.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.205 179.943 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' 42' ' ' HIS . 5.0 m -63.81 -29.41 70.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.748 0.308 . . . . 0.0 110.773 179.905 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 mt -61.85 -31.81 72.09 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.624 -179.559 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.491 ' HG ' ' HG ' ' A' ' 41' ' ' LEU . 1.6 pp -87.23 -26.65 23.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.721 0.296 . . . . 0.0 110.68 -179.975 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.491 ' HG ' ' HG ' ' A' ' 40' ' ' LEU . 5.2 mt -95.51 1.82 54.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.075 179.351 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.406 ' HB2' ' O ' ' A' ' 38' ' ' SER . 6.8 t60 -73.48 133.62 80.18 Favored Pre-proline 0 C--N 1.332 -0.195 0 CA-C-O 120.674 0.273 . . . . 0.0 110.774 -179.859 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -46.22 -24.92 2.73 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.942 2.428 . . . . 0.0 112.881 -179.83 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -71.83 -26.54 62.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.039 -179.842 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 45.9 mmtt -117.4 28.86 8.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.943 0.401 . . . . 0.0 110.489 179.641 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 101.2 -91.5 0.95 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.126 -179.741 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.65 133.79 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.915 179.659 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.24 146.17 24.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.78 0.324 . . . . 0.0 110.647 179.736 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -66.16 -24.59 66.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.156 -179.893 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.68 -49.15 7.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.318 -179.914 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.405 ' HB3' HD23 ' A' ' 41' ' ' LEU . 0.4 OUTLIER -55.17 -50.53 69.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.565 -179.621 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.3 tpt -55.05 -44.34 74.61 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.397 -179.542 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -75.8 -30.98 59.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.959 -179.874 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.16 -51.23 64.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.46 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 9.3 tp -62.51 -41.56 98.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.829 -179.908 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -63.62 -25.28 68.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.046 179.975 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.8 t -79.01 -49.16 13.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.355 -179.731 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.463 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 9.0 mt -69.53 -26.23 64.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.107 -179.736 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.559 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 60.2 t-105 -90.44 -23.43 21.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.352 . . . . 0.0 110.142 179.619 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.07 -64.31 2.71 Favored Glycine 0 C--N 1.335 0.486 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.169 179.635 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.536 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -52.11 -49.51 63.48 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 178.919 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.536 ' N ' ' CG2' ' A' ' 61' ' ' THR . 3.2 t80 -45.45 -51.11 11.97 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 113.431 -1.713 . . . . 0.0 109.354 177.462 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.559 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -54.38 -40.93 68.65 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 114.056 -1.429 . . . . 0.0 111.303 179.743 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 54.1 m -45.81 -39.59 8.6 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.194 0.521 . . . . 0.0 109.736 179.362 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -85.43 -31.82 22.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.727 178.632 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.541 ' HB ' ' HA ' ' A' ' 63' ' ' LYS . 47.5 t -50.3 -55.17 6.53 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.146 -179.78 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -51.93 -28.84 17.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.963 0.411 . . . . 0.0 110.393 179.5 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -90.83 -22.46 20.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.543 -179.852 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.52 ' CD2' ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -68.91 -13.18 62.27 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.84 -179.707 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.501 ' HD2' HD11 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -83.47 0.97 44.02 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 121.093 0.473 . . . . 0.0 111.387 179.536 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.1 mtt -120.72 -35.53 3.35 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.606 179.631 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -56.86 154.54 9.18 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.721 179.765 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.1 mp -116.91 -50.11 2.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.995 -179.85 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -125.14 70.68 0.47 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.536 -179.921 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -79.5 -90.34 0.44 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.388 179.872 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 27.1 m -70.99 133.68 46.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.369 . . . . 0.0 110.809 -179.919 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 142.08 -56.21 0.58 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.488 179.986 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.16 112.32 18.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 0.0 110.845 179.915 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.034 -179.968 . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 mmt . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.856 0.36 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.85 122.22 14.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.962 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.81 89.89 2.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.694 179.917 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 4' ' ' VAL . 26.8 m -83.02 124.73 39.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.362 0.601 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.673 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.6 OUTLIER -90.3 140.28 29.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.6 -179.73 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.7 p -87.38 -172.47 3.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.218 179.697 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.584 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 2.0 ttt-85 -58.07 -34.25 69.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.434 -179.645 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.36 -51.02 26.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.718 0.294 . . . . 0.0 111.584 -179.718 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.673 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 13.2 m-20 -61.06 -50.14 74.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.044 -179.668 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.573 ' HE3' ' HA ' ' A' ' 7' ' ' ARG . 0.4 OUTLIER -60.21 -31.94 70.63 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.397 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.584 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 1.4 tt0 -65.68 -35.65 81.36 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 178.396 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.4 tpp180 -69.72 -28.13 65.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.246 179.349 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.446 HD12 ' HB2' ' A' ' 59' ' ' TRP . 1.8 tp -67.44 -32.61 73.58 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.076 179.316 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.429 ' CD2' HD22 ' A' ' 19' ' ' LEU . 20.1 mt -75.29 -37.8 60.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.85 -46.36 74.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.963 179.896 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.509 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 11.1 mp -79.54 -13.22 59.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.909 -179.934 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.511 HD13 ' HB2' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -90.18 -9.03 49.68 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.674 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.63 19.01 3.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.405 0.621 . . . . 0.0 110.072 -178.51 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.485 ' CD1' HD23 ' A' ' 23' ' ' LEU . 4.2 tt -112.89 110.09 52.09 Favored Pre-proline 0 N--CA 1.449 -0.483 0 CA-C-N 115.175 -0.921 . . . . 0.0 109.795 -179.363 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.513 ' O ' HD12 ' A' ' 23' ' ' LEU . 88.3 Cg_exo -46.55 169.39 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.994 2.463 . . . . 0.0 113.713 -178.556 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.57 -10.7 42.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.112 179.519 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -36.37 74.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.747 -179.5 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.513 HD12 ' O ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -98.27 10.72 40.0 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.305 -179.894 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 60.6 t-105 -54.87 92.37 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.024 179.35 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 163.86 -27.98 0.22 Allowed Glycine 0 CA--C 1.518 0.252 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.805 179.991 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.416 ' O ' ' HG2' ' A' ' 30' ' ' MET . 12.8 t0 -78.66 101.64 7.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.635 0.255 . . . . 0.0 111.003 -179.841 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.469 ' CD1' HG12 ' A' ' 66' ' ' VAL . 25.5 t80 -54.24 -32.69 56.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.798 -179.599 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.69 -32.77 63.91 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 120.56 -0.829 . . . . 0.0 113.246 -179.212 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.89 -37.12 24.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.702 0.251 . . . . 0.0 111.653 -179.333 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.416 ' HG2' ' O ' ' A' ' 26' ' ' ASP . 19.0 ptp -67.89 -44.81 76.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.626 0.25 . . . . 0.0 110.964 -179.773 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -64.31 -41.74 96.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.923 0.392 . . . . 0.0 110.178 179.525 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -56.04 -33.91 65.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.279 179.338 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.426 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -79.54 -45.05 20.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.379 179.439 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.511 ' HB2' HD13 ' A' ' 17' ' ' LEU . 10.8 t80 -55.02 -44.69 74.82 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.639 179.558 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.2 mttm -67.58 -37.98 83.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.087 -179.842 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -60.24 -38.28 82.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.023 -179.654 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.509 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 31.1 mm-40 -88.71 -21.8 23.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.261 -179.875 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.1 p -66.03 -33.55 76.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.793 0.33 . . . . 0.0 110.559 179.563 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.1 mt -68.59 -42.35 78.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.817 179.9 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 pp -81.64 -8.5 59.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.26 179.697 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.41 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 22.6 mt -95.24 -0.59 52.89 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 120.609 0.242 . . . . 0.0 111.389 179.723 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.42 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 4.5 t-160 -86.22 123.27 71.82 Favored Pre-proline 0 CA--C 1.532 0.275 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.768 -179.708 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.442 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 88.7 Cg_exo -42.36 -21.49 0.18 Allowed 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.833 2.355 . . . . 0.0 113.696 -179.928 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.51 -28.24 41.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.828 0.347 . . . . 0.0 111.065 -179.879 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.5 mmtt -103.97 30.22 5.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.807 179.83 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.2 56.24 7.13 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.601 179.928 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.442 ' O ' ' HA ' ' A' ' 43' ' ' PRO . . . -136.12 162.63 25.06 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.442 179.983 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.41 159.93 16.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.859 0.362 . . . . 0.0 110.815 179.943 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -81.98 -47.6 12.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.644 179.706 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.431 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -58.77 -24.37 61.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.196 179.944 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.41 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 0.9 OUTLIER -75.4 -50.83 14.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.333 -179.562 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -43.05 97.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.261 -179.569 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.01 -30.29 68.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.123 -179.859 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 4.6 tt0 -61.52 -55.88 26.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.614 179.803 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.5 tp -56.38 -36.95 69.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.107 179.988 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -61.39 -29.36 69.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.667 179.873 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.2 t -73.54 -37.72 65.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.958 179.973 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.433 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 15.1 mt -83.83 -30.61 26.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.009 -179.974 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.655 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 69.1 t-105 -90.0 -17.87 27.05 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.096 -179.931 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.01 -61.82 2.95 Favored Glycine 0 C--N 1.336 0.54 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.923 179.335 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.542 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -56.56 -50.18 72.66 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 179.005 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.542 ' N ' ' CG2' ' A' ' 61' ' ' THR . 4.7 t80 -44.28 -53.06 7.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 113.545 -1.661 . . . . 0.0 109.221 177.9 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.655 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 2.3 ttmt -54.4 -43.52 71.52 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.383 -1.28 . . . . 0.0 111.091 179.182 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 36.4 m -48.67 -36.88 17.02 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 179.141 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -85.38 -30.86 23.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.668 178.275 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.549 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 54.5 t -54.06 -44.23 62.08 Favored 'Isoleucine or valine' 0 C--O 1.231 0.121 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -63.27 -29.2 70.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.434 179.798 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 44.3 m-20 -90.59 -19.51 23.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.528 179.939 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.453 ' CD2' ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -61.31 -39.04 89.02 Favored 'General case' 0 CA--C 1.527 0.089 0 CA-C-O 120.733 0.302 . . . . 0.0 110.744 -179.29 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.408 ' N ' ' HG ' ' A' ' 69' ' ' LEU . 6.6 mtm180 -85.26 0.98 50.22 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.05 0.452 . . . . 0.0 111.369 179.656 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.6 mmt -117.74 -9.74 10.65 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.684 -179.605 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -101.54 -73.4 0.65 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.864 0.364 . . . . 0.0 111.152 -179.696 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -89.85 36.47 0.86 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.22 -179.958 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -86.95 34.77 3.5 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.582 179.877 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.11 111.73 1.24 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.717 179.873 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.4 p -67.54 153.0 44.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.677 0.275 . . . . 0.0 110.517 179.615 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -135.31 52.96 0.78 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.728 -179.821 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -88.45 112.29 22.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.839 0.352 . . . . 0.0 110.895 179.85 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.789 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.167 0 CA-C-O 121.379 0.609 . . . . 0.0 112.251 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 p -90.19 -172.88 3.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.495 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.9 mtt-85 -58.79 -40.88 85.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 110.661 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.14 -39.22 94.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.709 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.789 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 48.1 m-20 -75.83 -52.94 9.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.748 -0.206 . . . . 0.0 111.221 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.511 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -60.4 -34.51 74.04 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.009 0.433 . . . . 0.0 110.42 179.728 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.467 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 7.4 tp10 -67.72 -34.19 76.36 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.991 179.041 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.2 tpt180 -65.33 -32.81 74.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.911 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.741 ' O ' HD13 ' A' ' 17' ' ' LEU . 3.1 tp -65.71 -33.86 76.84 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.917 179.242 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.738 HD22 ' O ' ' A' ' 19' ' ' LEU . 11.4 mt -69.98 -41.37 74.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.318 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.29 -41.35 79.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.087 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.2 mt -79.05 -18.41 53.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.295 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.741 HD13 ' O ' ' A' ' 13' ' ' LEU . 6.9 mp -88.5 -4.33 58.63 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 54.25 19.26 2.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.31 0.576 . . . . 0.0 110.077 -178.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.773 HD13 ' HA ' ' A' ' 30' ' ' MET . 3.5 tt -109.86 110.35 59.12 Favored Pre-proline 0 N--CA 1.45 -0.44 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.939 -179.317 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.436 ' O ' HD13 ' A' ' 23' ' ' LEU . 81.7 Cg_exo -46.83 167.21 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.694 2.262 . . . . 0.0 113.29 -178.717 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.43 -3.8 57.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.246 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -79.13 -31.4 44.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.993 0.425 . . . . 0.0 111.121 -179.146 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.686 HD21 ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -101.43 10.05 40.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.265 179.786 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.565 ' HE3' HD21 ' A' ' 14' ' ' LEU . 36.2 t-105 -55.69 108.31 0.43 Allowed 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.188 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 148.85 -29.71 1.26 Allowed Glycine 0 C--N 1.333 0.362 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.744 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.431 ' O ' ' HG2' ' A' ' 30' ' ' MET . 19.5 t0 -78.74 92.67 4.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.71 0.29 . . . . 0.0 111.179 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.644 ' CE1' HG11 ' A' ' 66' ' ' VAL . 7.7 t80 -43.94 -43.31 6.45 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.686 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.462 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -57.86 -42.54 94.7 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.858 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -71.5 -52.87 16.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.647 0.26 . . . . 0.0 111.672 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.773 ' HA ' HD13 ' A' ' 19' ' ' LEU . 13.9 ptp -56.69 -47.23 80.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.505 -179.388 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -63.0 -35.92 81.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.895 0.379 . . . . 0.0 110.244 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.462 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.8 OUTLIER -63.91 -37.13 86.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.811 179.03 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.628 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -79.43 -29.31 41.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.053 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.433 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 9.8 t80 -69.04 -41.07 78.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.686 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.14 -52.63 46.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.971 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.495 ' HG2' ' HA ' ' A' ' 33' ' ' ALA . 1.3 pt20 -59.59 -29.76 68.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.723 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.517 ' HG3' ' HA ' ' A' ' 17' ' ' LEU . 95.8 mm-40 -86.62 -23.66 25.62 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.956 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.7 m -77.49 -30.78 53.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.669 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.504 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 5.7 mt -77.77 -24.82 48.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.468 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.567 HD12 ' HG ' ' A' ' 41' ' ' LEU . 4.3 pp -89.98 -18.94 25.09 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.949 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.567 ' HG ' HD12 ' A' ' 40' ' ' LEU . 11.6 mt -94.77 -3.56 48.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.819 0.343 . . . . 0.0 110.782 179.242 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -66.62 134.65 94.35 Favored Pre-proline 0 N--CA 1.455 -0.184 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.858 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_exo -43.89 -48.81 8.81 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.928 2.419 . . . . 0.0 113.364 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.42 -12.79 55.73 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.749 0.278 . . . . 0.0 111.749 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.504 ' HG3' ' O ' ' A' ' 39' ' ' LEU . 5.8 mmtp -112.5 30.93 6.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.37 . . . . 0.0 111.064 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 62.39 90.29 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.61 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -169.74 165.24 38.64 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.425 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.586 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -88.95 154.07 20.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.897 0.38 . . . . 0.0 110.688 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -82.69 -40.51 20.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.42 ' HA ' ' HG2' ' A' ' 53' ' ' GLN . . . -58.71 -21.1 54.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.39 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.586 HD13 ' HB2' ' A' ' 48' ' ' SER . 2.7 mp -83.95 -51.59 7.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.165 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -31.25 69.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.508 -179.523 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.42 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 1.4 pt20 -77.15 -32.71 56.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.867 0.365 . . . . 0.0 111.142 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.523 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -72.53 -36.8 68.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.938 0.399 . . . . 0.0 110.348 179.585 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.635 HD11 HD11 ' A' ' 17' ' ' LEU . 6.1 tp -71.08 -43.25 68.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.533 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.84 -31.13 70.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.705 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.5 p -81.55 -45.22 16.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.798 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.523 HD12 ' O ' ' A' ' 54' ' ' GLU . 2.8 mt -65.13 -27.74 68.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.567 ' HB2' HD11 ' A' ' 13' ' ' LEU . 61.9 t-105 -90.63 -27.12 19.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.183 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.403 ' HA2' ' NZ ' ' A' ' 63' ' ' LYS . . . -68.9 -63.89 3.28 Favored Glycine 0 C--N 1.333 0.401 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.148 179.407 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.535 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -51.9 -49.49 62.92 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 179.084 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.535 ' N ' ' CG2' ' A' ' 61' ' ' THR . 3.1 t80 -44.03 -52.16 7.28 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 113.418 -1.719 . . . . 0.0 109.138 177.402 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.582 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 0.3 OUTLIER -58.68 -37.76 76.75 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.003 -1.453 . . . . 0.0 110.841 179.397 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.481 ' HB ' ' O ' ' A' ' 61' ' ' THR . 54.7 m -49.06 -37.81 22.17 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 109.487 -0.561 . . . . 0.0 109.487 179.083 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -85.12 -30.92 23.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.504 178.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.644 HG11 ' CE1' ' A' ' 27' ' ' PHE . 74.1 t . . . . . 0 N--CA 1.455 -0.183 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.717 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.835 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.115 0.483 . . . . 0.0 111.558 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.6 p -90.33 -170.32 2.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.933 -178.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.454 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -62.49 -29.43 70.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.899 179.645 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.417 ' N ' ' HG2' ' A' ' 7' ' ' ARG . . . -76.54 -32.64 58.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.282 -179.703 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.835 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 2.9 m-20 -89.77 -47.0 8.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.816 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.684 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -59.91 -28.46 67.6 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.839 0.352 . . . . 0.0 110.756 179.717 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 12' ' ' ARG . 3.2 pt-20 -69.76 -31.4 69.34 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.447 ' N ' ' HG3' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -60.75 -39.42 88.63 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.528 178.887 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.796 ' O ' HD23 ' A' ' 17' ' ' LEU . 4.9 tp -65.12 -35.56 81.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.009 179.479 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.929 HD22 ' O ' ' A' ' 19' ' ' LEU . 10.6 mt -66.87 -40.78 87.95 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.982 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -56.03 -52.67 63.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.5 mt -72.36 -12.45 61.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.994 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.796 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.4 mm? -90.45 -10.45 43.68 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 mptt 52.8 20.32 1.56 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.201 0.524 . . . . 0.0 110.263 -178.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.929 ' O ' HD22 ' A' ' 14' ' ' LEU . 4.9 tt -109.93 112.14 58.13 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.999 -179.264 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.431 ' HB2' HD12 ' A' ' 23' ' ' LEU . 82.8 Cg_exo -46.06 167.03 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.701 2.267 . . . . 0.0 113.396 -178.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.422 ' HG2' HD13 ' A' ' 14' ' ' LEU . 7.2 mtt180 -90.25 -2.51 58.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.313 179.514 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.72 -24.55 31.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.733 -178.513 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.819 ' CD2' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -108.79 10.47 26.65 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.823 179.308 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.546 ' HE3' HD21 ' A' ' 14' ' ' LEU . 44.1 t-105 -56.05 97.58 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.847 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 160.08 -28.88 0.35 Allowed Glycine 0 CA--C 1.517 0.21 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.212 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.42 ' HB3' ' HB2' ' A' ' 29' ' ' ARG . 22.3 t0 -76.53 93.58 3.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.887 0.375 . . . . 0.0 110.91 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.541 ' CE1' HG11 ' A' ' 66' ' ' VAL . 16.5 t80 -46.59 -40.5 12.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.866 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.71 -33.7 87.94 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.826 -0.702 . . . . 0.0 113.476 -179.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.618 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -81.65 -43.74 18.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.82 0.31 . . . . 0.0 111.44 -179.385 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.695 ' HA ' HD13 ' A' ' 19' ' ' LEU . 12.9 ptp -61.39 -47.92 83.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.207 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -66.29 -35.25 79.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.738 0.304 . . . . 0.0 110.58 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.65 -44.04 89.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.04 0.448 . . . . 0.0 110.244 179.432 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.574 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -70.22 -40.38 74.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.891 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.449 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 6.7 t80 -53.24 -48.43 68.22 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.684 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.421 ' HA ' ' OG ' ' A' ' 38' ' ' SER . 4.5 mttp -67.32 -31.61 72.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.081 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -70.28 -38.13 74.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.023 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.746 ' OE1' HD11 ' A' ' 40' ' ' LEU . 1.4 mm-40 -90.2 -23.49 21.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.442 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.421 ' OG ' ' HA ' ' A' ' 35' ' ' LYS . 84.3 p -72.68 -30.88 64.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.845 0.355 . . . . 0.0 110.515 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.412 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 1.0 OUTLIER -73.24 -30.71 63.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.349 -179.643 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.746 HD11 ' OE1' ' A' ' 37' ' ' GLN . 4.6 pp -83.82 -21.16 32.18 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.707 0.289 . . . . 0.0 110.965 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.738 HD22 ' HB3' ' A' ' 51' ' ' LEU . 2.3 mt -95.37 16.57 16.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.802 0.334 . . . . 0.0 110.791 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -85.83 134.65 39.02 Favored Pre-proline 0 N--CA 1.453 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.457 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -43.52 -37.56 7.98 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.708 2.272 . . . . 0.0 112.8 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -64.7 -16.38 62.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.688 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' A' ' 39' ' ' LEU . 35.2 mmtt -111.81 31.04 6.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.787 0.327 . . . . 0.0 111.074 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.65 66.87 2.5 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.595 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -137.66 171.0 23.45 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.367 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.73 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -90.02 151.6 21.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.826 0.346 . . . . 0.0 110.837 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -79.57 -45.17 19.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.425 ' HA ' ' CG ' ' A' ' 53' ' ' GLN . . . -58.68 -24.26 60.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.406 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.738 ' HB3' HD22 ' A' ' 41' ' ' LEU . 4.1 mp -74.08 -59.8 2.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.193 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 10.4 tpt -55.17 -44.12 74.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.365 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.425 ' CG ' ' HA ' ' A' ' 50' ' ' ALA . 1.3 pp0? -67.01 -29.89 69.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.045 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.7 -39.25 93.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.842 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.593 HD12 HD12 ' A' ' 13' ' ' LEU . 16.5 tp -69.18 -34.7 75.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.727 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.34 -30.23 71.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.076 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.25 -30.83 66.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.64 HD22 ' O ' ' A' ' 9' ' ' ASP . 2.3 mt -89.57 -29.32 18.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.05 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.593 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 66.0 t-105 -88.91 -21.41 23.63 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.497 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.23 -60.23 3.63 Favored Glycine 0 C--N 1.334 0.428 0 C-N-CA 121.019 -0.61 . . . . 0.0 111.989 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.609 ' CG2' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -55.05 -49.2 72.18 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 106.829 -1.545 . . . . 0.0 106.829 179.239 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.66 ' O ' ' HG3' ' A' ' 65' ' ' GLU . 5.5 t80 -46.85 -55.25 8.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 113.159 -1.837 . . . . 0.0 109.647 177.751 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.594 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 1.0 OUTLIER -49.22 -37.95 24.73 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.374 179.682 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.435 ' HB ' ' O ' ' A' ' 61' ' ' THR . 85.4 m -54.46 -43.02 71.31 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 178.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.66 ' HG3' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -84.75 -20.63 30.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.31 178.627 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.594 ' HB ' ' HA ' ' A' ' 63' ' ' LYS . 23.2 t . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 121.014 0.435 . . . . 0.0 110.825 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.799 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 121.338 0.589 . . . . 0.0 112.03 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.0 p -90.77 -167.97 1.96 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.673 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.432 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -62.32 -38.63 90.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.94 179.809 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.97 -48.28 74.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.316 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.799 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 5.8 m-20 -64.32 -55.14 23.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.684 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.479 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -57.93 -32.0 67.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.919 0.39 . . . . 0.0 110.171 179.644 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 13.0 tt0 -69.38 -35.44 75.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.806 178.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -65.68 -36.18 82.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.796 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.654 ' O ' HD23 ' A' ' 17' ' ' LEU . 1.8 tp -64.07 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.006 179.052 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.693 HD22 ' O ' ' A' ' 19' ' ' LEU . 12.5 mt -69.9 -42.46 73.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.352 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.93 -46.54 74.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.6 -13.55 60.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.852 179.604 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.694 ' O ' ' HB1' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -89.93 -7.73 53.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.82 -179.787 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.55 19.44 3.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.399 0.619 . . . . 0.0 109.656 -178.345 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.929 HD13 ' HA ' ' A' ' 30' ' ' MET . 6.0 tt -113.23 110.96 50.43 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.856 -179.115 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.464 ' O ' HD13 ' A' ' 23' ' ' LEU . 73.9 Cg_exo -50.08 166.83 0.25 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.645 2.23 . . . . 0.0 113.214 -178.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.78 -3.29 58.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.394 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -79.03 -32.67 45.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.075 0.464 . . . . 0.0 111.149 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.669 HD22 ' C ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -102.75 10.92 38.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.201 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.639 ' HE3' HD21 ' A' ' 14' ' ' LEU . 25.0 t-105 -55.01 105.81 0.18 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.98 0.419 . . . . 0.0 110.858 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 151.6 -27.22 0.95 Allowed Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.444 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -80.42 94.01 6.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.516 0.198 . . . . 0.0 111.026 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.551 ' CE1' HG11 ' A' ' 66' ' ' VAL . 19.8 t80 -47.48 -41.73 21.31 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.883 0.373 . . . . 0.0 111.377 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.478 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -60.01 -33.23 78.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.542 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.29 -49.37 10.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.645 0.259 . . . . 0.0 111.395 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.929 ' HA ' HD13 ' A' ' 19' ' ' LEU . 15.1 ptp -61.77 -49.12 77.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.524 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -62.94 -39.65 95.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.786 0.327 . . . . 0.0 110.259 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.478 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.5 OUTLIER -61.31 -32.41 72.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.903 179.213 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.694 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -81.28 -43.19 19.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.293 179.283 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.533 ' HB2' HD11 ' A' ' 17' ' ' LEU . 17.1 t80 -53.38 -48.78 68.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.79 179.544 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.48 -32.47 70.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.771 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.02 -41.83 98.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.708 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.435 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 77.5 mm-40 -86.25 -18.38 32.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.101 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.4 m -72.18 -38.34 69.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.435 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.42 ' O ' ' HD3' ' A' ' 45' ' ' LYS . 4.3 mt -62.73 -33.05 74.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.158 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 4.1 pp -87.92 -15.89 35.38 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.919 -0.313 . . . . 0.0 110.879 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 45.0 mt -95.34 7.94 44.67 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 120.7 0.286 . . . . 0.0 111.026 178.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.458 ' ND1' ' HD2' ' A' ' 43' ' ' PRO . 16.1 t60 -87.27 133.62 38.24 Favored Pre-proline 0 N--CA 1.455 -0.209 0 CA-C-O 120.711 0.291 . . . . 0.0 110.992 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.458 ' HD2' ' ND1' ' A' ' 42' ' ' HIS . 81.2 Cg_exo -46.14 -30.56 7.73 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.087 2.525 . . . . 0.0 112.837 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -70.01 -11.9 61.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.285 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.471 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 2.5 mptp? -123.56 29.71 6.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.909 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.3 67.04 2.2 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.604 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -137.12 169.15 24.09 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.521 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.732 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -90.02 145.21 25.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.788 0.328 . . . . 0.0 110.911 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.413 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 1.1 t60 -76.6 -46.66 25.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.711 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.38 -32.67 64.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.354 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.732 HD13 ' HB2' ' A' ' 48' ' ' SER . 0.7 OUTLIER -66.97 -49.41 65.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.02 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -27.23 68.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.233 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 12.4 mm100 -78.57 -40.89 33.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.653 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -63.68 -45.21 91.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.713 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.513 HD12 HD12 ' A' ' 13' ' ' LEU . 13.4 tp -58.84 -47.28 85.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.08 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -57.21 -27.7 62.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.046 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.0 m -71.13 -43.88 66.7 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.041 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.529 HD23 HD23 ' A' ' 5' ' ' LEU . 9.7 mt -75.95 -28.83 58.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.775 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.587 ' HB2' HD11 ' A' ' 13' ' ' LEU . 68.9 t-105 -89.44 -18.05 27.53 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.425 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.1 -63.06 2.47 Favored Glycine 0 C--N 1.334 0.431 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.885 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.539 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -55.3 -49.94 70.84 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 178.92 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.539 ' N ' ' CG2' ' A' ' 61' ' ' THR . 4.0 t80 -44.16 -49.5 9.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 113.517 -1.674 . . . . 0.0 109.467 178.261 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.583 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 2.8 ttmt -57.38 -39.72 76.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.308 -1.315 . . . . 0.0 111.495 179.54 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 61' ' ' THR . 95.6 m -49.22 -38.18 25.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.333 0.587 . . . . 0.0 109.476 179.418 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -84.35 -30.22 25.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.463 178.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.569 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 50.7 t . . . . . 0 N--CA 1.455 -0.214 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.015 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.784 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER . . . . . 0 N--CA 1.46 0.033 0 CA-C-O 121.135 0.493 . . . . 0.0 111.585 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 p -85.73 179.37 7.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.058 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 43.4 ttm-85 -50.83 -39.14 52.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.24 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.29 -48.9 68.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.601 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.784 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 5.5 m-20 -63.19 -57.09 11.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.034 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.687 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -55.65 -33.43 64.05 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.008 0.433 . . . . 0.0 110.034 179.605 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.415 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 10.8 tt0 -69.6 -33.92 73.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.317 178.359 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.556 ' O ' HD12 ' A' ' 16' ' ' LEU . 40.5 ttt85 -66.1 -37.31 85.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.726 178.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.598 HD12 HD12 ' A' ' 55' ' ' LEU . 1.8 tp -60.18 -36.77 78.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.945 179.209 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.899 HD12 ' HG3' ' A' ' 21' ' ' ARG . 10.5 mt -68.0 -37.03 80.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.662 179.555 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.3 -38.53 68.77 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.961 0.41 . . . . 0.0 110.419 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.556 HD12 ' O ' ' A' ' 12' ' ' ARG . 1.4 mp -84.38 -19.02 34.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.745 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.677 ' CD2' HD11 ' A' ' 55' ' ' LEU . 1.2 mm? -89.22 -6.42 56.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.93 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 mptt 56.03 19.2 3.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.366 0.603 . . . . 0.0 109.818 -178.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.773 HD13 ' HA ' ' A' ' 30' ' ' MET . 4.6 tt -112.1 107.27 55.94 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.136 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.448 ' O ' HD13 ' A' ' 23' ' ' LEU . 64.3 Cg_exo -51.89 168.34 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.881 2.387 . . . . 0.0 113.766 -178.691 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.899 ' HG3' HD12 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -84.96 -6.24 59.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.132 179.388 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -76.61 -31.79 57.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.464 -178.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.698 HD21 ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -107.96 12.98 26.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.167 179.846 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.541 ' HE3' HD11 ' A' ' 14' ' ' LEU . 30.8 t-105 -55.38 106.21 0.22 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.117 179.406 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 150.04 -24.32 1.14 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.692 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -78.84 85.08 4.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.761 0.315 . . . . 0.0 110.972 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.661 ' CE1' HG11 ' A' ' 66' ' ' VAL . 14.2 t80 -44.57 -40.12 5.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.963 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.06 -40.41 97.04 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.787 -0.72 . . . . 0.0 113.209 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.23 -50.65 12.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.683 0.241 . . . . 0.0 111.586 -179.326 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.773 ' HA ' HD13 ' A' ' 19' ' ' LEU . 15.4 ptp -57.69 -45.42 85.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.595 0.236 . . . . 0.0 111.099 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -62.61 -38.9 92.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.962 0.41 . . . . 0.0 109.947 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -63.25 -33.19 74.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.776 179.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.435 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -80.3 -41.0 25.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.371 179.413 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.491 ' HB2' HD11 ' A' ' 17' ' ' LEU . 11.9 t80 -54.32 -42.86 70.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.984 0.421 . . . . 0.0 110.371 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.414 ' HA ' ' HB2' ' A' ' 38' ' ' SER . 0.7 OUTLIER -76.33 -37.55 57.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.53 179.783 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -60.62 -37.69 82.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.344 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.548 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 17.5 mm100 -87.37 -20.96 25.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.941 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.414 ' HB2' ' HA ' ' A' ' 35' ' ' LYS . 1.5 m -66.69 -27.15 67.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.851 0.358 . . . . 0.0 110.582 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.03 -31.39 62.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.209 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 4.4 pp -89.43 -15.21 33.7 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.101 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.695 HD22 ' HB3' ' A' ' 51' ' ' LEU . 87.9 mt -92.24 5.47 50.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.627 0.251 . . . . 0.0 111.269 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -87.8 135.93 33.24 Favored Pre-proline 0 C--N 1.331 -0.198 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -58.03 -2.92 0.95 Allowed 'Trans proline' 0 CA--C 1.532 0.403 0 C-N-CA 122.79 2.326 . . . . 0.0 113.436 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.01 -25.39 20.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.723 0.297 . . . . 0.0 110.944 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -105.59 30.91 5.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.722 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.06 32.81 85.41 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.556 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -95.51 174.84 32.47 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.576 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.689 ' HB2' HD13 ' A' ' 51' ' ' LEU . 2.0 m -90.05 149.03 22.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.746 0.308 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 35.3 t-80 -83.23 -39.25 21.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.475 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -66.17 -27.51 68.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.419 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.695 ' HB3' HD22 ' A' ' 41' ' ' LEU . 0.5 OUTLIER -73.56 -51.28 17.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.735 0.302 . . . . 0.0 111.115 -179.851 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.12 -48.0 68.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.459 -179.539 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -69.08 -31.12 69.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.215 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.475 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 16.1 tt0 -63.86 -50.86 67.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.775 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.677 HD11 ' CD2' ' A' ' 17' ' ' LEU . 9.9 tp -56.44 -37.8 70.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.079 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -65.91 -29.83 70.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.8 t -78.69 -35.84 44.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.143 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.565 ' HB3' HD13 ' A' ' 13' ' ' LEU . 1.4 mt -83.89 -30.96 25.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.118 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.649 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 73.5 t-105 -85.3 -15.7 42.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.542 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.88 -65.21 2.0 Allowed Glycine 0 C--N 1.333 0.398 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.401 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.539 ' CG2' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -55.15 -49.52 71.61 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 179.451 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.523 ' N ' ' CG2' ' A' ' 61' ' ' THR . 3.0 t80 -44.16 -53.14 6.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 113.564 -1.653 . . . . 0.0 109.488 178.101 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.649 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 2.4 ttmt -53.71 -41.78 67.33 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.265 -1.334 . . . . 0.0 111.142 179.245 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 28.2 m -48.3 -37.11 15.59 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.54 -31.25 22.81 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.635 178.22 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.661 HG11 ' CE1' ' A' ' 27' ' ' PHE . 89.1 t . . . . . 0 N--CA 1.456 -0.142 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.196 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.7 ' HB2' ' HB3' ' A' ' 9' ' ' ASP . 1.4 pt? . . . . . 0 N--CA 1.454 -0.24 0 CA-C-O 121.13 0.49 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.8 p -64.12 179.11 0.58 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.643 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.408 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 1.6 ttt180 -59.24 -33.47 71.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.28 -29.68 64.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.629 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.7 ' HB3' ' HB2' ' A' ' 5' ' ' LEU . 8.8 m-20 -69.23 -57.98 4.64 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.56 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.527 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -50.0 -42.09 48.4 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.811 0.339 . . . . 0.0 110.448 179.756 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 7' ' ' ARG . 53.1 mt-10 -67.74 -35.43 78.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.138 179.062 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.67 -38.84 67.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.859 179.312 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.556 ' O ' HD13 ' A' ' 17' ' ' LEU . 1.6 tp -61.05 -27.5 68.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.87 178.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.694 HD21 ' HE3' ' A' ' 24' ' ' TRP . 12.3 mt -75.33 -51.71 12.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.849 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -52.12 -24.71 7.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.181 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.467 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 3.5 mt -89.0 -30.74 18.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.24 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.691 HD11 HD11 ' A' ' 55' ' ' LEU . 7.3 mp -82.16 1.92 33.98 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.3 mttt 53.94 19.66 2.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.368 0.604 . . . . 0.0 110.062 -178.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.74 HD13 ' HA ' ' A' ' 30' ' ' MET . 5.5 tt -109.36 111.21 59.93 Favored Pre-proline 0 N--CA 1.451 -0.425 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.951 -179.218 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.438 ' O ' HD13 ' A' ' 23' ' ' LEU . 73.0 Cg_exo -49.6 168.83 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.873 2.382 . . . . 0.0 113.736 -178.639 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.33 -3.09 57.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.233 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -79.57 -29.24 41.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.082 0.468 . . . . 0.0 110.896 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.728 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -107.72 14.85 25.17 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.952 179.898 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.694 ' HE3' HD21 ' A' ' 14' ' ' LEU . 35.9 t-105 -58.24 89.04 0.01 OUTLIER 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.037 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 166.18 -29.5 0.19 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.749 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -76.72 88.65 3.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.902 0.382 . . . . 0.0 111.097 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.767 ' CD1' HG11 ' A' ' 66' ' ' VAL . 4.7 t80 -46.09 -38.44 8.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.926 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.51 -34.89 90.81 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.834 -0.698 . . . . 0.0 113.042 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -79.83 -42.83 23.53 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 122.789 -0.242 . . . . 0.0 111.489 -179.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.74 ' HA ' HD13 ' A' ' 19' ' ' LEU . 10.7 ptp -69.59 -39.19 77.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.616 0.246 . . . . 0.0 111.198 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -64.24 -37.83 88.87 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.3 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -63.71 -40.38 96.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.987 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.7 -32.51 62.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.414 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.508 ' CE2' ' CG ' ' A' ' 59' ' ' TRP . 11.8 t80 -65.89 -40.87 91.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.484 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.45 -38.52 91.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.81 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -74.45 -48.25 28.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.477 ' HG2' ' HA ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -60.13 -27.48 67.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.94 179.813 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.1 m -70.88 -30.4 66.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.533 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.469 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 9.9 mt -70.15 -31.82 69.5 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.795 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.456 HD12 ' N ' ' A' ' 41' ' ' LEU . 3.9 pp -88.76 -17.61 29.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.998 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.456 ' N ' HD12 ' A' ' 40' ' ' LEU . 3.3 mt -95.6 -1.43 50.36 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.364 179.498 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -75.93 121.07 84.32 Favored Pre-proline 0 CA--C 1.529 0.172 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.096 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -42.64 -26.01 0.57 Allowed 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.811 2.34 . . . . 0.0 113.151 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.53 -11.86 54.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.526 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 39' ' ' LEU . 30.1 mmtt -117.51 31.04 6.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.795 0.331 . . . . 0.0 110.902 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.66 21.59 79.52 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.6 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -91.73 170.18 33.34 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.419 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.744 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -90.21 155.43 19.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.864 0.364 . . . . 0.0 110.909 -179.88 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -83.23 -50.96 7.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.79 -24.76 37.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.307 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.744 HD13 ' HB2' ' A' ' 48' ' ' SER . 0.8 OUTLIER -77.46 -49.88 13.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.906 0.384 . . . . 0.0 111.272 -179.76 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 7.8 tpt -61.31 -52.02 66.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.366 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -61.49 -31.47 71.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.908 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.437 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -63.09 -48.91 76.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.104 0.478 . . . . 0.0 110.391 179.602 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.691 HD11 HD11 ' A' ' 17' ' ' LEU . 3.1 tp -66.79 -37.27 84.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.03 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -62.27 -43.3 99.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.71 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.9 m -74.01 -30.58 62.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.794 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.538 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 1.4 mt -79.77 -22.53 43.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.916 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.565 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 64.4 t-105 -89.13 -17.57 28.95 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.106 179.616 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.452 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -81.11 -58.07 2.69 Favored Glycine 0 C--N 1.334 0.422 0 C-N-CA 120.875 -0.679 . . . . 0.0 111.807 178.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.516 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -57.56 -48.58 78.94 Favored 'General case' 0 CA--C 1.515 -0.394 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 178.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.516 ' N ' ' CG2' ' A' ' 61' ' ' THR . 2.8 t80 -46.35 -57.47 4.59 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 113.695 -1.593 . . . . 0.0 109.412 177.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.565 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 3.2 ttmt -48.05 -46.06 32.94 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.298 -1.319 . . . . 0.0 111.413 179.419 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 92.1 m -50.75 -35.28 30.81 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.9 -30.94 23.98 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.187 178.067 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.767 HG11 ' CD1' ' A' ' 27' ' ' PHE . 77.8 t . . . . . 0 N--CA 1.454 -0.239 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.343 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.792 HD13 ' HB3' ' A' ' 10' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.95 0.405 . . . . 0.0 111.709 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.7 p -83.39 -171.3 3.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.295 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.436 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . 2.5 ptm180 -60.23 -36.68 78.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.641 0.257 . . . . 0.0 111.333 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.3 -48.35 61.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.777 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.747 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 4.9 m-20 -63.15 -47.65 81.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.289 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.792 ' HB3' HD13 ' A' ' 5' ' ' LEU . 9.3 pttp -59.93 -33.23 71.62 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.068 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.425 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 1.1 mt-10 -68.73 -36.19 78.1 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.581 178.342 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -64.52 -31.16 72.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.229 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.754 ' O ' HD23 ' A' ' 17' ' ' LEU . 3.6 tp -63.76 -41.66 97.94 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 121.2 0.524 . . . . 0.0 109.713 179.117 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.645 HD21 ' HE3' ' A' ' 24' ' ' TRP . 14.9 mt -62.72 -40.8 98.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.283 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -52.1 -53.26 44.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.872 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.489 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 0.6 OUTLIER -74.96 -11.23 60.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.614 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.754 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.3 mm? -90.47 -8.96 49.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.87 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 54.05 20.08 2.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.248 0.547 . . . . 0.0 110.103 -178.59 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.826 HD13 ' HA ' ' A' ' 30' ' ' MET . 4.1 tt -110.04 109.95 58.88 Favored Pre-proline 0 N--CA 1.451 -0.423 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.017 -179.224 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -49.41 170.73 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.033 2.489 . . . . 0.0 114.128 -178.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.526 ' HG2' ' CD1' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -90.13 -3.41 57.91 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.502 179.73 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -82.88 -26.67 31.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.883 0.373 . . . . 0.0 111.284 -178.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.761 ' CD2' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -109.89 12.21 23.94 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.458 -179.791 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.645 ' HE3' HD21 ' A' ' 14' ' ' LEU . 54.8 t-105 -52.31 101.15 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.989 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.75 -26.46 0.83 Allowed Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.782 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.425 ' O ' ' HG2' ' A' ' 30' ' ' MET . 15.0 t70 -76.69 91.73 3.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.668 0.271 . . . . 0.0 111.156 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.846 ' CD1' HG11 ' A' ' 66' ' ' VAL . 20.7 t80 -49.6 -34.58 18.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.796 -179.683 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.9 -36.9 91.75 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.828 -0.701 . . . . 0.0 113.487 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.73 -34.31 30.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.92 0.36 . . . . 0.0 111.867 -179.126 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.826 ' HA ' HD13 ' A' ' 19' ' ' LEU . 17.5 ptp -71.68 -45.98 60.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.551 0.215 . . . . 0.0 111.011 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -64.89 -37.76 88.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.944 0.402 . . . . 0.0 109.933 179.457 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.481 ' O ' ' HB2' ' A' ' 36' ' ' GLN . 2.5 mt-30 -61.85 -28.51 69.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.939 179.072 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.598 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -85.91 -43.66 13.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.616 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.486 ' CD2' ' CG ' ' A' ' 59' ' ' TRP . 9.1 t80 -51.62 -42.43 61.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.609 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.42 -39.14 47.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.733 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.481 ' HB2' ' O ' ' A' ' 32' ' ' GLN . 0.1 OUTLIER -61.5 -42.75 99.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.434 179.707 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 2.3 mp0 -81.12 -21.34 39.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.723 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.6 m -62.73 -26.24 68.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.921 0.391 . . . . 0.0 110.383 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 23.6 mt -70.44 -46.89 62.97 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.55 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.0 pp -68.94 -20.02 64.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.703 0.287 . . . . 0.0 110.859 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.401 HD22 HD22 ' A' ' 51' ' ' LEU . 61.1 mt -95.57 7.33 46.55 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.338 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.415 ' ND1' ' HD2' ' A' ' 43' ' ' PRO . 51.0 t-80 -89.98 136.72 28.7 Favored Pre-proline 0 CA--C 1.531 0.232 0 CA-C-O 120.689 0.281 . . . . 0.0 110.425 179.479 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.415 ' HD2' ' ND1' ' A' ' 42' ' ' HIS . 73.5 Cg_exo -47.89 -12.91 0.17 Allowed 'Trans proline' 0 CA--C 1.533 0.429 0 C-N-CA 123.042 2.495 . . . . 0.0 113.904 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.84 -23.3 22.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.786 0.327 . . . . 0.0 111.012 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.5 mptt -115.63 29.22 8.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.776 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.2 62.97 3.84 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.438 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -124.49 153.78 17.77 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.799 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.679 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -90.24 157.2 17.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.748 0.308 . . . . 0.0 111.008 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -79.26 -51.31 9.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.54 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.9 -25.39 7.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.504 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.679 HD13 ' HB2' ' A' ' 48' ' ' SER . 2.5 mp -78.79 -51.95 9.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -30.07 69.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.004 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -77.09 -45.61 26.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.615 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.33 -41.64 93.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.578 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.461 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 7.5 tp -60.76 -51.45 69.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.389 179.637 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.02 -31.09 64.78 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.177 179.055 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 m -74.87 -49.72 19.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.131 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.502 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 5.0 mt -73.9 -25.66 60.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.404 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.563 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 60.0 t-105 -89.93 -17.68 27.51 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.425 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -77.94 -61.9 2.45 Favored Glycine 0 C--N 1.336 0.546 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.088 179.265 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.542 ' CG2' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -55.34 -50.07 70.59 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 179.194 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.538 ' N ' ' CG2' ' A' ' 61' ' ' THR . 7.0 t80 -43.82 -54.45 5.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 113.391 -1.732 . . . . 0.0 109.458 177.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.563 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 3.0 ttmt -51.15 -42.68 60.93 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.359 -1.291 . . . . 0.0 111.036 179.374 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 61' ' ' THR . 63.2 m -50.65 -35.79 32.39 Favored 'General case' 0 CA--C 1.521 -0.173 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.564 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -85.37 -29.0 24.8 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.59 178.362 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.846 HG11 ' CD1' ' A' ' 27' ' ' PHE . 71.9 t . . . . . 0 N--CA 1.453 -0.29 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.33 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.797 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.0 pt? . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.929 0.395 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.5 p -88.19 -171.11 3.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.263 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.422 ' HG2' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -62.41 -32.9 73.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.778 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.422 ' N ' ' HG2' ' A' ' 7' ' ' ARG . . . -68.98 -33.86 74.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.312 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.797 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 3.3 m-20 -69.47 -56.94 5.96 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.109 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.5 ' HD3' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -60.09 -45.3 93.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.48 -179.398 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.5 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -63.63 -29.94 71.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.776 0.322 . . . . 0.0 110.941 -179.783 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.657 HH21 HD21 ' A' ' 16' ' ' LEU . 6.4 tpt180 -78.8 -34.43 45.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.04 0.448 . . . . 0.0 110.026 179.406 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.632 HD12 HD12 ' A' ' 55' ' ' LEU . 1.9 tp -66.2 -32.59 74.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.945 179.095 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.893 HD22 ' O ' ' A' ' 19' ' ' LEU . 12.8 mt -69.57 -35.32 75.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.53 179.578 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -58.34 -46.24 86.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.445 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.657 HD21 HH21 ' A' ' 12' ' ' ARG . 22.5 mt -76.23 -16.3 59.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.816 179.284 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.774 ' CD2' HD11 ' A' ' 55' ' ' LEU . 1.1 mm? -90.17 -9.94 46.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.587 -179.447 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.29 22.38 1.37 Allowed 'General case' 0 C--O 1.231 0.098 0 CA-C-O 121.37 0.605 . . . . 0.0 109.955 -178.756 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.893 ' O ' HD22 ' A' ' 14' ' ' LEU . 3.9 tt -112.78 111.7 51.19 Favored Pre-proline 0 N--CA 1.449 -0.496 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.776 -178.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.426 ' O ' HD13 ' A' ' 23' ' ' LEU . 80.5 Cg_exo -45.41 166.55 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.71 2.273 . . . . 0.0 113.432 -178.652 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.476 ' HG2' HD12 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -89.02 -3.15 58.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.169 179.591 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.77 -31.3 46.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.031 0.443 . . . . 0.0 111.012 -179.206 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.797 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -106.91 19.49 20.39 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.659 179.829 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.609 ' HE3' HD21 ' A' ' 14' ' ' LEU . 66.3 t-105 -55.2 -17.55 4.55 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.655 179.433 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.33 -19.8 68.32 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.715 -0.755 . . . . 0.0 113.198 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -83.72 126.21 32.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.878 0.371 . . . . 0.0 111.021 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.605 ' CE1' HG11 ' A' ' 66' ' ' VAL . 27.1 t80 -82.52 -40.31 21.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.042 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.01 -28.92 73.51 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.756 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.542 ' HB3' HD11 ' A' ' 19' ' ' LEU . 32.5 mmt180 -74.94 -50.2 17.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.89 0.376 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.854 ' HA ' HD13 ' A' ' 19' ' ' LEU . 12.5 ptp -59.23 -48.23 82.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.101 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -60.04 -36.08 76.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.839 0.352 . . . . 0.0 110.809 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -60.53 -42.44 96.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.509 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.54 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -77.49 -39.95 44.59 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.677 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.452 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 9.6 t80 -49.47 -46.74 48.44 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.864 0.364 . . . . 0.0 110.617 179.384 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -75.57 -30.21 59.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.814 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.13 -30.94 63.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.669 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.506 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 43.4 mm-40 -90.03 -19.46 24.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.092 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.5 p -69.61 -27.59 65.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.652 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.409 ' O ' ' HE3' ' A' ' 45' ' ' LYS . 0.7 OUTLIER -75.43 -30.04 59.9 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.336 -179.79 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.8 pp -89.78 -18.74 25.74 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 121.093 -0.243 . . . . 0.0 110.97 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.1 mt -94.49 12.44 27.28 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.753 0.311 . . . . 0.0 110.691 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.532 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 12.4 t-80 -83.78 136.13 42.2 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.391 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.532 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 19.6 Cg_endo -58.9 -15.21 25.94 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.679 2.253 . . . . 0.0 112.942 -179.429 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -86.47 -21.66 26.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.645 0.26 . . . . 0.0 110.994 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.475 ' HD3' ' N ' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -103.77 30.74 4.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.661 -179.861 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 62.96 47.6 87.46 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.564 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -115.98 168.23 12.63 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.415 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.521 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -90.07 141.39 28.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.798 0.332 . . . . 0.0 110.715 179.882 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.459 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 34.8 p80 -74.25 -38.8 63.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.817 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.408 ' HA ' ' HG2' ' A' ' 53' ' ' GLN . . . -57.04 -25.22 58.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.591 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.521 HD13 ' HB2' ' A' ' 48' ' ' SER . 1.4 mp -79.78 -50.05 11.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.199 -179.581 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.8 tpt -60.58 -44.63 96.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.222 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 2.3 pt20 -64.02 -25.1 67.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.075 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -79.84 -43.07 23.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.01 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.774 HD11 ' CD2' ' A' ' 17' ' ' LEU . 10.2 tp -56.43 -49.96 73.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.183 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -61.84 -31.8 72.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.871 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.4 t -80.17 -35.11 36.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.947 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.599 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 16.6 mt -83.74 -24.14 31.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.083 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.605 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 67.7 t-105 -89.99 -24.99 21.09 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.54 -61.76 3.49 Favored Glycine 0 C--N 1.335 0.476 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.17 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.684 HG23 HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -53.11 -47.07 68.91 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 178.883 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.535 ' HB2' ' O ' ' A' ' 58' ' ' LEU . 2.2 t80 -48.84 -52.48 23.92 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 113.0 -1.909 . . . . 0.0 109.33 177.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.605 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -55.75 -37.77 68.95 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.315 -1.311 . . . . 0.0 111.156 179.675 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.2 m -47.2 -39.4 13.87 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.274 0.559 . . . . 0.0 109.654 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -85.54 -30.27 23.52 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.787 178.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.605 HG11 ' CE1' ' A' ' 27' ' ' PHE . 66.9 t . . . . . 0 C--O 1.231 0.117 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.084 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.776 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.6 pt? . . . . . 0 N--CA 1.463 0.206 0 CA-C-O 121.009 0.433 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 p -90.08 -179.44 5.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.487 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 58.0 ttp85 -52.99 -35.62 59.47 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.656 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.82 -43.57 95.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.234 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.776 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 1.2 m-20 -69.56 -55.4 10.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.588 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.466 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -54.04 -42.71 69.49 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.757 0.313 . . . . 0.0 110.657 -179.33 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.456 ' HG2' ' HD3' ' A' ' 10' ' ' LYS . 4.9 mm-40 -67.74 -28.22 67.45 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.458 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.61 -48.13 42.16 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.523 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.554 ' O ' HD23 ' A' ' 17' ' ' LEU . 1.4 tp -58.44 -32.34 68.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.32 179.56 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.652 HD21 ' HE3' ' A' ' 24' ' ' TRP . 13.5 mt -66.01 -42.27 89.9 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.154 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -58.58 -37.92 76.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.1 0.476 . . . . 0.0 110.605 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.422 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 9.6 mp -81.98 -17.52 46.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.018 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.554 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.1 mm? -90.21 -5.87 55.91 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? 55.31 19.77 3.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.446 0.641 . . . . 0.0 109.74 -178.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.79 HD21 ' CD2' ' A' ' 23' ' ' LEU . 4.4 tt -111.23 110.74 56.01 Favored Pre-proline 0 N--CA 1.45 -0.453 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.486 -179.422 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.426 ' HB2' HD12 ' A' ' 23' ' ' LEU . 80.2 Cg_exo -45.95 167.74 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.836 2.357 . . . . 0.0 113.645 -178.649 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.482 ' HG3' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -90.22 -2.88 58.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.48 179.853 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -82.57 -29.59 30.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.788 0.328 . . . . 0.0 111.492 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.79 ' CD2' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -104.48 14.44 30.04 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.297 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.652 ' HE3' HD21 ' A' ' 14' ' ' LEU . 53.3 t-105 -52.94 97.96 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.192 179.414 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 157.13 -24.82 0.47 Allowed Glycine 0 C--N 1.332 0.321 0 C-N-CA 120.618 -0.801 . . . . 0.0 113.002 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -75.05 91.94 2.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.64 0.257 . . . . 0.0 111.203 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.791 ' CE1' HG11 ' A' ' 66' ' ' VAL . 29.2 t80 -51.58 -33.34 32.23 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.388 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.461 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -67.13 -35.82 89.36 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.62 -0.8 . . . . 0.0 113.0 -179.531 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -79.49 -46.02 18.23 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.687 0.255 . . . . 0.0 111.687 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.447 ' CG ' ' HA ' ' A' ' 27' ' ' PHE . 18.2 ptp -60.37 -47.19 87.12 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.339 -179.497 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -64.71 -35.08 79.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.757 0.313 . . . . 0.0 110.36 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.461 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -65.56 -41.74 92.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.123 0.487 . . . . 0.0 110.046 179.152 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.468 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -73.02 -41.49 64.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.604 179.548 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.466 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 9.0 t80 -49.43 -43.65 44.87 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.783 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.0 -36.05 61.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -66.2 -35.17 79.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.717 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.422 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 96.6 mm-40 -89.11 -20.7 23.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.164 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.07 -31.47 69.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.578 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.3 mt -70.73 -39.82 73.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.936 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 pp -84.56 -11.98 55.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.302 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.666 HD22 ' HB3' ' A' ' 51' ' ' LEU . 29.7 mt -93.42 -3.94 52.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.211 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.483 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 9.3 t-80 -82.84 130.37 58.2 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.723 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.483 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 86.1 Cg_exo -45.38 -28.6 4.01 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.926 2.417 . . . . 0.0 113.381 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.15 -11.02 60.18 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.239 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.463 ' HE2' ' HB3' ' A' ' 42' ' ' HIS . 0.1 OUTLIER -119.67 31.36 6.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.798 0.332 . . . . 0.0 110.867 -179.798 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.33 57.02 11.09 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.49 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -133.2 173.12 21.2 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.44 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.22 151.02 21.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.919 0.39 . . . . 0.0 111.035 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 63.8 t60 -83.13 -26.7 30.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.071 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.1 -26.64 53.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.457 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.666 ' HB3' HD22 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -77.14 -49.13 15.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.873 -179.824 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -46.79 85.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.015 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -33.52 76.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.823 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -69.19 -35.76 76.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.611 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.521 HD22 ' CD1' ' A' ' 41' ' ' LEU . 13.2 tp -58.68 -51.11 71.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.325 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -61.59 -35.82 78.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.178 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.2 p -73.55 -37.37 65.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.042 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.613 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 13.3 mt -81.15 -26.16 36.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.215 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.604 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 62.0 t-105 -90.05 -26.4 20.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.974 0.416 . . . . 0.0 110.021 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.47 -67.35 1.98 Allowed Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.044 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.54 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -49.9 -50.1 47.25 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 179.068 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.54 ' N ' ' CG2' ' A' ' 61' ' ' THR . 3.8 t80 -45.6 -50.85 12.85 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 113.6 -1.636 . . . . 0.0 109.203 177.602 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.604 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -56.33 -35.65 67.84 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 114.019 -1.446 . . . . 0.0 110.884 179.398 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.8 m -48.06 -39.46 20.1 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 121.338 0.59 . . . . 0.0 109.546 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -84.96 -30.95 23.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.706 178.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.791 HG11 ' CE1' ' A' ' 27' ' ' PHE . 77.5 t . . . . . 0 N--CA 1.456 -0.16 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.179 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.694 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.15 0.5 . . . . 0.0 111.75 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.6 p -88.9 -167.17 1.8 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.12 -179.365 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.536 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 14.5 mtt-85 -60.62 -37.9 82.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.204 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.22 -52.54 33.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.312 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.694 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 33.5 m-20 -59.48 -49.78 76.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.848 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -60.91 -34.64 74.98 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.362 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.536 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -65.54 -37.87 87.98 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.62 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -64.56 -33.72 76.57 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.152 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.766 HD12 HD12 ' A' ' 55' ' ' LEU . 3.3 tp -61.6 -43.38 98.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.332 179.42 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.712 HD22 HD23 ' A' ' 19' ' ' LEU . 15.3 mt -64.19 -40.67 96.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.81 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -55.63 -32.84 63.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.936 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -84.94 -20.53 30.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.861 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.749 ' CD1' HD11 ' A' ' 55' ' ' LEU . 8.8 mp -85.51 -5.32 59.3 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.799 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 53.12 19.98 1.62 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.19 0.519 . . . . 0.0 110.321 -179.04 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 1.061 HD21 HD21 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -111.01 124.95 31.62 Favored Pre-proline 0 N--CA 1.448 -0.558 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.782 -179.15 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.44 ' HB2' HD12 ' A' ' 23' ' ' LEU . 71.2 Cg_exo -45.48 164.43 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.756 2.304 . . . . 0.0 113.698 -178.43 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.57 ' HA ' HD13 ' A' ' 14' ' ' LEU . 6.4 ptt85 -90.68 -15.52 30.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.973 179.111 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -65.34 -36.22 83.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.77 -179.033 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.061 HD21 HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -90.81 4.59 51.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.735 -179.435 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.544 ' CE3' HD11 ' A' ' 14' ' ' LEU . 62.9 t-105 -51.59 100.69 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.419 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 153.94 -36.37 0.72 Allowed Glycine 0 C--N 1.332 0.354 0 C-N-CA 120.523 -0.846 . . . . 0.0 113.281 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.451 ' O ' ' HG2' ' A' ' 30' ' ' MET . 5.4 t70 -83.75 96.16 8.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.728 0.264 . . . . 0.0 111.615 -179.399 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.858 ' CD1' HG11 ' A' ' 66' ' ' VAL . 3.0 t80 -42.71 -44.61 4.4 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.639 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.82 -41.73 91.3 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.913 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.3 mtm-85 -77.91 -51.71 10.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.692 0.282 . . . . 0.0 111.309 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.546 ' HA ' HD13 ' A' ' 19' ' ' LEU . 13.9 ptp -59.23 -40.96 87.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.93 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -67.68 -32.81 73.73 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.916 0.389 . . . . 0.0 110.208 179.545 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -34.34 71.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.004 179.122 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.604 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -78.43 -46.4 19.9 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.526 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.43 ' CE2' ' CB ' ' A' ' 59' ' ' TRP . 4.8 t80 -54.59 -47.9 72.78 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.341 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -61.44 -40.97 96.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.731 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -76.42 -23.22 53.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.02 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.529 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -89.78 -22.86 21.93 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.904 0.383 . . . . 0.0 110.837 179.811 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 83.0 p -71.35 -29.18 64.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.877 0.37 . . . . 0.0 110.247 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.98 -32.57 74.13 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.093 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.8 pp -89.32 -16.86 30.1 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.703 0.287 . . . . 0.0 111.006 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.712 HD22 ' HB3' ' A' ' 51' ' ' LEU . 43.5 mt -94.33 0.93 55.88 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 120.87 0.367 . . . . 0.0 110.958 179.359 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.535 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 19.1 t-80 -88.48 142.43 31.2 Favored Pre-proline 0 CA--C 1.532 0.269 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.225 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.535 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 30.8 Cg_endo -64.94 -5.87 11.6 Favored 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 122.702 2.268 . . . . 0.0 113.638 -179.088 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -88.95 -21.58 23.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.767 0.318 . . . . 0.0 110.866 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -109.58 29.36 7.65 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.651 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.66 41.43 64.69 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.492 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -115.79 163.51 12.31 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.554 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.12 146.3 24.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.85 0.357 . . . . 0.0 110.999 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.407 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -78.62 -21.65 48.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.214 -179.469 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -74.32 -27.15 60.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.859 0.361 . . . . 0.0 111.12 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.712 ' HB3' HD22 ' A' ' 41' ' ' LEU . 1.9 mp -78.34 -51.22 10.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.933 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -40.29 71.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.342 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.428 ' HG3' ' N ' ' A' ' 54' ' ' GLU . 10.1 pt20 -74.23 -36.13 63.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.232 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -62.84 -50.75 69.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.909 0.385 . . . . 0.0 110.889 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.766 HD12 HD12 ' A' ' 13' ' ' LEU . 17.3 tp -62.57 -37.83 87.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.942 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.93 -37.28 79.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.774 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.11 -30.2 68.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.831 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.51 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 0.9 OUTLIER -86.01 -26.63 25.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.026 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.637 ' HB2' HD11 ' A' ' 13' ' ' LEU . 69.9 t-105 -90.13 -19.15 24.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.278 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.13 -62.66 2.56 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.918 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.591 ' CG2' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -54.46 -49.82 69.17 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 178.919 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.53 ' N ' ' CG2' ' A' ' 61' ' ' THR . 6.5 t80 -44.41 -54.26 6.06 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 113.497 -1.683 . . . . 0.0 109.111 177.72 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.585 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 1.4 ttmt -54.37 -44.66 72.41 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.311 -1.313 . . . . 0.0 110.745 178.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.44 ' HB ' ' O ' ' A' ' 61' ' ' THR . 87.3 m -49.91 -35.28 23.2 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 178.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -85.37 -30.12 23.89 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.694 178.093 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.858 HG11 ' CD1' ' A' ' 27' ' ' PHE . 58.1 t . . . . . 0 N--CA 1.455 -0.202 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.274 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.694 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.15 0.5 . . . . 0.0 111.75 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.6 p -88.9 -167.17 1.8 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.12 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.536 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 14.5 mtt-85 -60.62 -37.9 82.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.204 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.22 -52.54 33.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.312 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.694 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 33.5 m-20 -59.48 -49.78 76.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.848 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -60.91 -34.64 74.98 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.362 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.536 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -65.54 -37.87 87.98 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.62 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -64.56 -33.72 76.57 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.152 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.766 HD12 HD12 ' A' ' 55' ' ' LEU . 3.3 tp -61.6 -43.38 98.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.332 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.712 HD22 HD23 ' A' ' 19' ' ' LEU . 15.3 mt -64.19 -40.67 96.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.81 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -55.63 -32.84 63.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.936 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -84.94 -20.53 30.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.861 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.749 ' CD1' HD11 ' A' ' 55' ' ' LEU . 8.8 mp -85.51 -5.32 59.3 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.799 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 53.12 19.98 1.62 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.19 0.519 . . . . 0.0 110.321 -179.04 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 1.061 HD21 HD21 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -111.01 124.95 31.62 Favored Pre-proline 0 N--CA 1.448 -0.558 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.782 -179.15 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.44 ' HB2' HD12 ' A' ' 23' ' ' LEU . 71.2 Cg_exo -45.48 164.43 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.756 2.304 . . . . 0.0 113.698 -178.43 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.57 ' HA ' HD13 ' A' ' 14' ' ' LEU . 6.4 ptt85 -90.68 -15.52 30.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.973 179.111 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -65.34 -36.22 83.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.77 -179.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.061 HD21 HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -90.81 4.59 51.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.735 -179.435 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.544 ' CE3' HD11 ' A' ' 14' ' ' LEU . 62.9 t-105 -51.59 100.69 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.419 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 153.94 -36.37 0.72 Allowed Glycine 0 C--N 1.332 0.354 0 C-N-CA 120.523 -0.846 . . . . 0.0 113.281 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.451 ' O ' ' HG2' ' A' ' 30' ' ' MET . 5.4 t70 -83.75 96.16 8.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.728 0.264 . . . . 0.0 111.615 -179.399 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.858 ' CD1' HG11 ' A' ' 66' ' ' VAL . 3.0 t80 -42.71 -44.61 4.4 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.639 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.82 -41.73 91.3 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.913 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.3 mtm-85 -77.91 -51.71 10.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.692 0.282 . . . . 0.0 111.309 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.546 ' HA ' HD13 ' A' ' 19' ' ' LEU . 13.9 ptp -59.23 -40.96 87.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.93 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -67.68 -32.81 73.73 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.916 0.389 . . . . 0.0 110.208 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -34.34 71.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.004 179.122 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.604 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -78.43 -46.4 19.9 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.526 179.345 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.43 ' CE2' ' CB ' ' A' ' 59' ' ' TRP . 4.8 t80 -54.59 -47.9 72.78 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.341 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -61.44 -40.97 96.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.731 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -76.42 -23.22 53.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.02 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.529 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -89.78 -22.86 21.93 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.904 0.383 . . . . 0.0 110.837 179.811 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 83.0 p -71.35 -29.18 64.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.877 0.37 . . . . 0.0 110.247 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.98 -32.57 74.13 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.093 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.8 pp -89.32 -16.86 30.1 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.703 0.287 . . . . 0.0 111.006 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.712 HD22 ' HB3' ' A' ' 51' ' ' LEU . 43.5 mt -94.33 0.93 55.88 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 120.87 0.367 . . . . 0.0 110.958 179.359 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.535 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 19.1 t-80 -88.48 142.43 31.2 Favored Pre-proline 0 CA--C 1.532 0.269 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.225 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.535 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 30.8 Cg_endo -64.94 -5.87 11.6 Favored 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 122.702 2.268 . . . . 0.0 113.638 -179.088 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -88.95 -21.58 23.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.767 0.318 . . . . 0.0 110.866 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -109.58 29.36 7.65 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.651 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.66 41.43 64.69 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.492 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -115.79 163.51 12.31 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.554 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.12 146.3 24.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.85 0.357 . . . . 0.0 110.999 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.407 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -78.62 -21.65 48.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.214 -179.469 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -74.32 -27.15 60.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.859 0.361 . . . . 0.0 111.12 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.712 ' HB3' HD22 ' A' ' 41' ' ' LEU . 1.9 mp -78.34 -51.22 10.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.933 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -40.29 71.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.342 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.428 ' HG3' ' N ' ' A' ' 54' ' ' GLU . 10.1 pt20 -74.23 -36.13 63.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.232 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -62.84 -50.75 69.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.909 0.385 . . . . 0.0 110.889 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.766 HD12 HD12 ' A' ' 13' ' ' LEU . 17.3 tp -62.57 -37.83 87.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.942 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.93 -37.28 79.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.774 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.11 -30.2 68.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.831 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.51 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 0.9 OUTLIER -86.01 -26.63 25.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.026 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.637 ' HB2' HD11 ' A' ' 13' ' ' LEU . 69.9 t-105 -90.13 -19.15 24.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.278 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.13 -62.66 2.56 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.918 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.591 ' CG2' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -54.46 -49.82 69.17 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 178.919 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.53 ' N ' ' CG2' ' A' ' 61' ' ' THR . 6.5 t80 -44.41 -54.26 6.06 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 113.497 -1.683 . . . . 0.0 109.111 177.72 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.585 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 1.4 ttmt -54.37 -44.66 72.41 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.311 -1.313 . . . . 0.0 110.745 178.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.44 ' HB ' ' O ' ' A' ' 61' ' ' THR . 87.3 m -49.91 -35.28 23.2 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 178.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -85.37 -30.12 23.89 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.694 178.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.858 HG11 ' CD1' ' A' ' 27' ' ' PHE . 58.1 t . . . . . 0 N--CA 1.455 -0.202 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.274 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.848 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.1 pt? . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.01 0.433 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.3 p -90.11 -172.79 3.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.598 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.418 ' HG2' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -59.28 -31.27 68.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.151 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.418 ' N ' ' HG2' ' A' ' 7' ' ' ARG . . . -71.5 -37.76 71.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.273 -179.65 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.848 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 92.8 m-20 -66.63 -59.35 3.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.187 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.63 ' N ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -59.55 -38.4 80.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.913 0.387 . . . . 0.0 110.256 -179.896 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 4.7 tt0 -64.02 -40.82 97.18 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.976 178.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -39.25 80.35 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.363 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.67 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.9 tp -63.16 -33.47 75.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.297 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.879 HD22 ' O ' ' A' ' 19' ' ' LEU . 12.7 mt -69.31 -38.84 78.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.067 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 75.6 mm-40 -55.59 -46.44 77.28 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.004 0.431 . . . . 0.0 110.542 179.634 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.484 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 5.0 mt -76.12 -15.96 59.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.929 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.67 HD23 ' O ' ' A' ' 13' ' ' LEU . 2.0 mm? -90.36 -9.55 47.27 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.39 20.25 1.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.319 0.581 . . . . 0.0 110.001 -178.67 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.879 ' O ' HD22 ' A' ' 14' ' ' LEU . 3.3 tt -110.49 110.61 57.75 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.947 -179.067 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.423 ' O ' HD13 ' A' ' 23' ' ' LEU . 88.8 Cg_exo -46.38 167.05 0.07 OUTLIER 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.689 2.259 . . . . 0.0 113.313 -178.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.58 ' HG3' HD13 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -89.97 -3.34 58.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.101 179.393 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -78.1 -33.28 50.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.036 0.446 . . . . 0.0 110.995 -179.305 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.758 ' CD2' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -102.69 11.7 37.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.267 179.903 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.613 ' HE3' HD21 ' A' ' 14' ' ' LEU . 43.9 t-105 -55.68 92.5 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.085 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 167.25 -31.73 0.19 Allowed Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.524 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -73.76 94.91 2.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.697 0.284 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.6 ' CE1' HG11 ' A' ' 66' ' ' VAL . 71.1 t80 -52.56 -31.43 35.85 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.536 -179.603 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.15 -38.23 82.72 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.774 -0.727 . . . . 0.0 113.275 -179.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 60.1 mtt-85 -80.3 -37.17 33.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.745 0.272 . . . . 0.0 111.718 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.766 ' HA ' HD13 ' A' ' 19' ' ' LEU . 10.3 ptp -65.11 -47.61 76.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.584 0.231 . . . . 0.0 110.814 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.43 ' N ' ' HG3' ' A' ' 30' ' ' MET . 24.1 tt0 -63.13 -38.35 90.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.896 0.379 . . . . 0.0 110.734 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -58.98 -31.91 69.18 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.378 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.517 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -82.6 -40.28 21.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.836 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.446 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 12.6 t80 -57.07 -48.83 77.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.605 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 35.2 mtpt -64.86 -40.56 95.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.817 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -60.52 -48.46 81.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.747 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.565 ' HA ' HD21 ' A' ' 40' ' ' LEU . 98.5 mm-40 -79.78 -18.14 51.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.142 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.1 -29.99 68.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.994 0.426 . . . . 0.0 110.0 179.12 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.35 -41.39 80.76 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.752 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.565 HD21 ' HA ' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -79.64 -10.56 59.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.124 179.835 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.461 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 7.5 mt -95.31 -1.71 50.78 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 120.651 0.263 . . . . 0.0 111.355 179.46 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 8.9 t-80 -79.91 142.21 55.97 Favored Pre-proline 0 CA--C 1.53 0.195 0 CA-C-N 116.543 -0.298 . . . . 0.0 110.507 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 18.2 Cg_endo -61.95 -12.36 25.63 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.753 2.302 . . . . 0.0 113.932 -178.732 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -88.46 -23.07 23.36 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.992 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.424 ' HD3' ' HB3' ' A' ' 42' ' ' HIS . 3.0 mptp? -103.71 27.65 7.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.771 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 75.66 26.73 64.51 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.654 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -89.32 160.43 29.35 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.375 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.04 156.25 18.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.747 0.308 . . . . 0.0 110.862 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.442 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 12.2 m170 -83.12 -40.67 19.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.959 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.95 -28.56 67.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.242 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.461 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 7.5 mt -75.05 -51.51 13.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.057 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.52 ' O ' ' HB2' ' A' ' 56' ' ' ASN . 8.3 tpt -50.77 -27.69 7.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.376 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 4.2 mm-40 -83.03 -36.53 24.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.799 0.333 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -58.93 -54.81 42.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.067 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.612 HD12 HD12 ' A' ' 13' ' ' LEU . 16.1 tp -65.8 -38.9 90.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.182 -179.696 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.52 ' HB2' ' O ' ' A' ' 52' ' ' MET . 1.9 t-20 -63.6 -44.88 92.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.911 0.386 . . . . 0.0 110.812 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.84 -27.64 66.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.739 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.561 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 10.9 mt -80.82 -28.48 36.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.087 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.552 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 69.5 t-105 -87.03 -24.24 24.7 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.434 ' HA2' ' NZ ' ' A' ' 63' ' ' LYS . . . -69.91 -64.85 2.75 Favored Glycine 0 C--N 1.334 0.437 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.287 179.162 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.626 HG23 HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -52.18 -46.58 65.59 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 179.169 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.528 ' HB2' ' O ' ' A' ' 58' ' ' LEU . 2.7 t80 -49.88 -51.98 36.34 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 113.195 -1.821 . . . . 0.0 109.4 177.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.585 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 0.3 OUTLIER -52.08 -41.01 62.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.3 -1.318 . . . . 0.0 110.988 179.636 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 61' ' ' THR . 85.6 m -50.45 -37.71 39.67 Favored 'General case' 0 CA--C 1.522 -0.126 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -84.08 -31.27 25.41 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.391 178.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.6 HG11 ' CE1' ' A' ' 27' ' ' PHE . 53.9 t . . . . . 0 N--CA 1.455 -0.218 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.573 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.836 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.1 pt? . . . . . 0 N--CA 1.462 0.135 0 CA-C-O 120.947 0.404 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.0 p -89.33 -174.66 4.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.071 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -56.94 -36.75 70.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.182 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.0 -37.81 88.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.836 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 26.0 m-20 -69.15 -58.1 4.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.561 ' N ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -57.92 -39.74 78.71 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.764 0.316 . . . . 0.0 110.574 -179.656 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.443 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 2.0 mm-40 -61.55 -42.22 98.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.383 179.349 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.578 ' HE ' HD21 ' A' ' 16' ' ' LEU . 11.5 tpt180 -70.37 -29.08 65.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.252 179.368 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.653 ' O ' HD23 ' A' ' 17' ' ' LEU . 4.1 tp -69.7 -34.01 73.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.073 179.128 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.812 HD22 ' O ' ' A' ' 19' ' ' LEU . 15.4 mt -74.78 -41.4 60.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.828 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -56.14 -37.64 69.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.692 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.578 HD21 ' HE ' ' A' ' 12' ' ' ARG . 3.4 mm? -85.63 -19.27 31.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.527 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.653 HD23 ' O ' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -88.03 -8.04 56.16 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.711 -179.63 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.8 mptt 54.15 19.7 2.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.245 0.545 . . . . 0.0 110.07 -178.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.812 ' O ' HD22 ' A' ' 14' ' ' LEU . 3.4 tt -108.96 108.83 60.91 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.879 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.404 ' O ' HD13 ' A' ' 23' ' ' LEU . 77.6 Cg_exo -49.43 169.69 0.11 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.692 2.261 . . . . 0.0 113.188 -178.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -89.64 -3.38 58.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.858 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -76.31 -32.03 58.49 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.714 HD21 ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -107.83 14.64 25.25 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.107 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.639 ' HE3' HD21 ' A' ' 14' ' ' LEU . 46.6 t-105 -57.6 97.75 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.013 179.309 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 159.03 -26.01 0.36 Allowed Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.51 -0.853 . . . . 0.0 112.985 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -79.57 100.63 7.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.731 0.3 . . . . 0.0 111.03 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.728 ' CE1' HG11 ' A' ' 66' ' ' VAL . 28.4 t80 -52.98 -42.96 66.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.619 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.15 -32.31 71.22 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.849 -0.691 . . . . 0.0 113.268 -179.263 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 29' ' ' ARG . 20.4 mtt180 -83.06 -47.03 12.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.776 0.288 . . . . 0.0 111.724 -179.17 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.631 ' HA ' HD13 ' A' ' 19' ' ' LEU . 13.4 ptp -58.96 -40.35 84.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.626 0.251 . . . . 0.0 110.886 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -71.27 -36.41 71.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.795 0.331 . . . . 0.0 110.325 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -63.36 -34.4 77.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.246 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.516 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -81.19 -39.62 25.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.685 179.653 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.445 ' CE2' ' CB ' ' A' ' 59' ' ' TRP . 13.6 t80 -53.73 -44.3 69.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.527 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -72.32 -38.45 68.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.398 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -37.6 81.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.709 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 -88.8 -20.27 24.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.6 m -68.0 -29.52 68.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.708 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.1 mt -72.32 -33.68 67.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.983 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.601 HD12 ' HG ' ' A' ' 41' ' ' LEU . 2.9 pp -85.44 -17.04 37.75 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.958 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.601 ' HG ' HD12 ' A' ' 40' ' ' LEU . 32.8 mt -95.18 -4.23 46.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.252 179.576 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -79.39 123.72 84.36 Favored Pre-proline 0 N--CA 1.455 -0.187 0 CA-C-O 120.746 0.307 . . . . 0.0 110.448 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo -43.74 -27.6 1.61 Allowed 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.972 2.448 . . . . 0.0 113.551 -179.377 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.99 -12.18 60.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.627 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt -118.43 28.86 8.08 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.805 0.336 . . . . 0.0 110.866 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.85 16.58 79.3 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.809 -0.71 . . . . 0.0 113.01 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -87.11 163.29 34.41 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.385 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.556 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -87.58 152.79 21.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.904 0.383 . . . . 0.0 110.744 -179.859 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -78.97 -41.96 27.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.821 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.403 ' HA ' ' HG2' ' A' ' 53' ' ' GLN . . . -58.02 -34.61 70.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.571 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.587 ' HB3' HD22 ' A' ' 41' ' ' LEU . 4.0 mp -71.87 -53.25 13.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.925 0.393 . . . . 0.0 111.04 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 10.4 tpt -56.3 -45.74 80.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.415 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.403 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 4.0 pt20 -67.31 -26.85 66.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.71 0.291 . . . . 0.0 111.216 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.91 -54.48 21.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.369 . . . . 0.0 110.75 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.44 HD11 HD23 ' A' ' 17' ' ' LEU . 8.3 tp -56.7 -40.2 75.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.991 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -58.09 -33.04 68.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.798 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.69 -31.32 41.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.788 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.601 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 14.6 mt -80.89 -29.67 35.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.779 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.59 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 70.3 t-105 -88.8 -20.88 24.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.01 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.411 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -73.15 -64.12 2.62 Favored Glycine 0 C--N 1.335 0.479 0 C-N-CA 121.041 -0.599 . . . . 0.0 111.892 179.214 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.578 HG21 ' HB3' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -53.39 -50.9 64.16 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 179.001 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.532 ' N ' ' CG2' ' A' ' 61' ' ' THR . 4.7 t80 -45.32 -49.62 12.66 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 113.407 -1.724 . . . . 0.0 109.738 177.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.59 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 1.9 ttmt -55.2 -36.03 65.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.363 -1.29 . . . . 0.0 111.066 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 41.0 m -47.45 -39.4 15.66 Favored 'General case' 0 CA--C 1.522 -0.107 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -85.25 -30.63 23.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.955 178.559 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.728 HG11 ' CE1' ' A' ' 27' ' ' PHE . 69.1 t . . . . . 0 C--O 1.23 0.066 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.151 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.824 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.6 pt? . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.944 0.402 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.6 p -90.18 -174.67 4.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.22 -179.345 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -57.46 -33.95 68.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.955 179.862 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.23 -46.81 72.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.526 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.824 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 50.1 m-20 -58.12 -59.38 5.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.015 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.559 ' N ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -52.2 -39.85 60.72 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.09 0.472 . . . . 0.0 110.112 179.813 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.434 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 2.3 mt-10 -65.13 -38.95 92.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.579 178.66 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.414 ' CD ' HD11 ' A' ' 58' ' ' LEU . 1.3 ttt-85 -70.76 -31.21 67.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.6 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.685 ' O ' HD23 ' A' ' 17' ' ' LEU . 3.6 tp -72.98 -31.26 64.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.531 179.683 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.839 HD22 ' O ' ' A' ' 19' ' ' LEU . 11.7 mt -74.79 -41.33 60.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.299 -179.726 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -61.7 -38.85 89.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.434 ' O ' ' NE2' ' A' ' 37' ' ' GLN . 1.3 mt -82.02 -18.6 42.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.276 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.685 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.9 mm? -88.9 -5.3 58.09 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.0 18.52 2.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.232 0.539 . . . . 0.0 110.253 -178.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.839 ' O ' HD22 ' A' ' 14' ' ' LEU . 1.8 tt -106.11 110.79 64.3 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.285 -179.451 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.55 ' N ' HD21 ' A' ' 23' ' ' LEU . 46.1 Cg_exo -46.7 -176.4 0.0 OUTLIER 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.987 2.458 . . . . 0.0 112.892 -179.68 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -90.5 -35.02 15.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.996 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -51.91 -33.97 39.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.585 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.67 HD23 ' H ' ' A' ' 23' ' ' LEU . 1.4 pt? -102.19 12.94 35.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.194 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.688 ' HE3' HD21 ' A' ' 14' ' ' LEU . 46.7 t-105 -53.65 92.63 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.786 0.327 . . . . 0.0 110.773 179.617 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 144.91 -23.93 1.94 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.43 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.412 ' O ' ' HG2' ' A' ' 30' ' ' MET . 27.0 t0 -57.28 97.51 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.691 0.282 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.43 ' HA ' ' SD ' ' A' ' 30' ' ' MET . 15.9 t80 -56.11 -46.56 79.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.741 -179.592 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.31 -38.68 96.82 Favored Glycine 0 CA--C 1.52 0.372 0 C-N-CA 120.826 -0.702 . . . . 0.0 113.324 -179.172 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.17 -38.76 26.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.89 0.345 . . . . 0.0 111.919 -179.162 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.43 ' SD ' ' HA ' ' A' ' 27' ' ' PHE . 7.0 ptp -64.73 -47.28 78.84 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 121.044 -0.263 . . . . 0.0 111.02 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -62.27 -42.37 99.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.766 0.317 . . . . 0.0 110.395 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.9 -38.43 75.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.051 0.453 . . . . 0.0 110.159 179.329 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.59 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -74.51 -44.61 50.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.138 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.549 ' HB2' HD11 ' A' ' 17' ' ' LEU . 7.8 t80 -55.38 -45.72 76.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.297 179.351 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.407 ' HA ' ' OG ' ' A' ' 38' ' ' SER . 7.9 mtpm? -65.15 -28.64 69.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.877 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -46.59 44.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.234 -179.713 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.434 ' NE2' ' O ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -82.04 -21.58 36.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.543 -179.496 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.488 ' HA ' ' HE1' ' A' ' 52' ' ' MET . 91.9 p -73.6 -29.46 62.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.884 0.373 . . . . 0.0 110.762 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.2 mt -74.09 -36.14 64.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.066 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.433 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 3.7 pp -84.87 -14.95 46.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.11 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.614 HD22 ' HB3' ' A' ' 51' ' ' LEU . 15.1 mt -94.49 13.92 22.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.748 0.308 . . . . 0.0 110.964 179.42 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.459 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 18.0 t-80 -90.03 137.71 27.93 Favored Pre-proline 0 N--CA 1.454 -0.256 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.927 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -47.81 -24.76 5.24 Favored 'Trans proline' 0 CA--C 1.529 0.242 0 C-N-CA 122.829 2.353 . . . . 0.0 112.778 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -88.0 -25.02 23.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.64 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.459 ' HD3' ' HB3' ' A' ' 42' ' ' HIS . 1.7 mptp? -103.76 31.16 4.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.803 0.335 . . . . 0.0 111.078 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.8 46.72 65.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.467 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -116.1 159.08 14.05 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.486 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.563 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -90.22 161.22 15.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.864 0.364 . . . . 0.0 110.889 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -83.03 -48.66 10.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.768 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.96 -26.67 64.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.189 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.614 ' HB3' HD22 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -81.44 -52.74 6.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.025 -179.918 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.488 ' HE1' ' HA ' ' A' ' 38' ' ' SER . 8.0 tpt -51.19 -43.57 61.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.907 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.66 -33.51 72.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.532 179.667 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -64.45 -50.84 65.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.553 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.48 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 11.7 tp -66.56 -38.2 86.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.523 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -64.4 -50.16 68.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.008 0.432 . . . . 0.0 110.514 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 m -67.57 -27.15 66.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.686 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.615 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 14.1 mt -78.5 -26.91 46.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.541 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 66.5 t-105 -90.4 -27.42 19.33 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.52 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.0 -61.53 3.71 Favored Glycine 0 C--N 1.335 0.483 0 C-N-CA 120.977 -0.63 . . . . 0.0 111.771 179.189 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.635 HG23 HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -51.43 -50.5 59.59 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 178.721 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.561 ' N ' ' CG2' ' A' ' 61' ' ' THR . 1.3 t80 -45.65 -53.07 9.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 113.245 -1.798 . . . . 0.0 109.066 177.43 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.584 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -57.31 -38.61 74.3 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 113.921 -1.49 . . . . 0.0 110.961 179.468 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.96 -36.4 27.93 Favored 'General case' 0 CA--C 1.522 -0.123 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 178.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -85.39 -29.27 24.56 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.373 178.268 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.584 ' HB ' ' HA ' ' A' ' 63' ' ' LYS . 54.0 t . . . . . 0 N--CA 1.456 -0.166 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.86 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.811 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 121.134 0.492 . . . . 0.0 111.602 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.9 p -90.05 -174.96 4.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.866 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.7 ttm-85 -60.43 -28.93 68.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.82 -27.33 57.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.677 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.811 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 5.1 m-20 -88.87 -47.98 7.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.749 -0.205 . . . . 0.0 111.257 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.482 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -59.35 -34.74 72.75 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.939 0.399 . . . . 0.0 110.294 179.71 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.431 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 19.5 pt-20 -69.65 -32.82 71.71 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.653 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.0 ttt85 -63.37 -31.81 73.06 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.828 178.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.615 ' O ' HD23 ' A' ' 17' ' ' LEU . 1.7 tp -69.85 -32.9 71.53 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.734 178.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.826 HD22 ' O ' ' A' ' 19' ' ' LEU . 12.4 mt -67.56 -43.87 79.61 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.823 179.55 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -54.49 -54.07 45.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.758 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.45 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 7.3 mp -68.52 -16.68 63.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.911 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.657 ' CD2' HD11 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -90.14 -2.73 58.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.987 -179.452 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 48.98 21.25 0.44 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.285 0.564 . . . . 0.0 110.055 -178.767 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.826 ' O ' HD22 ' A' ' 14' ' ' LEU . 5.1 tt -111.82 110.05 54.86 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.605 -179.084 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.463 ' O ' HD13 ' A' ' 23' ' ' LEU . 79.8 Cg_exo -48.37 167.4 0.11 Allowed 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.519 2.146 . . . . 0.0 113.261 -178.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.28 -6.37 56.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.973 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -74.16 -34.51 63.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.128 0.489 . . . . 0.0 110.897 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.71 HD21 ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -101.93 12.96 36.1 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.562 -179.77 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.673 ' HE3' HD21 ' A' ' 14' ' ' LEU . 57.1 t-105 -52.08 109.6 0.39 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.478 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 143.31 -21.19 2.25 Favored Glycine 0 C--N 1.334 0.467 0 C-N-CA 120.873 -0.68 . . . . 0.0 113.254 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.503 ' O ' ' HG2' ' A' ' 30' ' ' MET . 13.1 t0 -78.77 92.28 4.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.645 0.26 . . . . 0.0 111.291 -179.643 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.749 ' CD1' HG11 ' A' ' 66' ' ' VAL . 14.5 t80 -48.53 -43.8 35.73 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.927 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.08 -33.59 87.64 Favored Glycine 0 CA--C 1.517 0.211 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.825 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.478 ' CZ ' ' HG ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -73.68 -49.97 23.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.731 0.301 . . . . 0.0 111.179 -179.819 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.607 ' HA ' HD13 ' A' ' 19' ' ' LEU . 12.5 ptp -60.77 -46.66 89.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.663 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -59.4 -42.1 90.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.799 0.333 . . . . 0.0 110.45 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.81 -41.6 82.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.567 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.434 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -76.67 -42.98 39.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.726 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.561 ' HB2' HD11 ' A' ' 17' ' ' LEU . 7.4 t80 -53.24 -45.61 68.82 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.194 179.403 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.436 ' HA ' ' OG ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -66.14 -33.66 76.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.774 179.815 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -67.51 -52.22 41.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.259 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.45 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 7.4 mm100 -74.89 -21.32 59.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.619 -179.377 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.436 ' OG ' ' HA ' ' A' ' 35' ' ' LYS . 80.8 p -71.69 -26.86 62.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.649 179.346 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.482 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 6.0 mt -79.21 -30.45 43.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.199 -179.62 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.554 HD12 ' HG ' ' A' ' 41' ' ' LEU . 3.8 pp -85.32 -17.07 37.94 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.114 -0.234 . . . . 0.0 111.359 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.608 HD21 HD22 ' A' ' 51' ' ' LEU . 14.3 mt -95.42 1.92 54.34 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -80.45 134.4 54.84 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 120.765 0.317 . . . . 0.0 110.338 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -46.69 -19.54 0.77 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.92 2.413 . . . . 0.0 113.344 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -81.76 -21.94 37.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.702 0.286 . . . . 0.0 111.264 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.482 ' HG3' ' O ' ' A' ' 39' ' ' LEU . 10.8 mmtt -116.57 31.1 6.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.814 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.0 88.16 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.636 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -158.13 164.8 33.51 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.503 -0.856 . . . . 0.0 112.59 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.06 148.23 23.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.868 0.366 . . . . 0.0 110.669 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.74 -42.38 41.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.664 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.53 -29.04 49.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.533 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.608 HD22 HD21 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -77.11 -50.79 12.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.062 -179.803 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 7.0 tpt -57.67 -26.83 62.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.964 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -79.98 -34.42 38.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.708 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.474 ' HG2' HD11 ' A' ' 58' ' ' LEU . 2.3 tt0 -69.39 -50.42 46.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.657 HD11 ' CD2' ' A' ' 17' ' ' LEU . 8.8 tp -57.93 -49.0 78.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.091 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -61.49 -35.66 78.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.834 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.33 -40.83 50.34 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.489 HD23 HD23 ' A' ' 5' ' ' LEU . 5.7 mt -76.34 -24.0 54.25 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.748 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.601 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 62.3 t-105 -90.24 -18.04 26.38 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.16 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.409 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -78.31 -61.59 2.46 Favored Glycine 0 C--N 1.336 0.582 0 C-N-CA 121.008 -0.615 . . . . 0.0 111.88 179.167 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.581 HG21 ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -55.71 -51.18 68.21 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 107.313 -1.366 . . . . 0.0 107.313 179.174 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.549 ' N ' ' CG2' ' A' ' 61' ' ' THR . 2.6 t80 -42.76 -54.8 3.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 113.805 -1.543 . . . . 0.0 109.303 177.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.601 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 1.1 ttmt -51.6 -44.12 62.75 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.03 -1.441 . . . . 0.0 111.584 179.333 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 68.7 m -47.31 -37.54 11.05 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-O 121.355 0.598 . . . . 0.0 109.701 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -85.44 -31.57 22.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.34 178.131 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.749 HG11 ' CD1' ' A' ' 27' ' ' PHE . 73.1 t . . . . . 0 N--CA 1.457 -0.118 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.999 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.787 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.0 pt? . . . . . 0 N--CA 1.464 0.252 0 CA-C-O 121.035 0.445 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.0 p -86.58 -174.53 5.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.498 -178.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.456 ' HG3' ' N ' ' A' ' 8' ' ' ALA . 18.1 ptt85 -58.33 -34.83 71.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.839 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.456 ' N ' ' HG3' ' A' ' 7' ' ' ARG . . . -65.99 -41.27 91.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.037 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.787 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -71.84 -53.41 13.35 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 120.834 0.35 . . . . 0.0 111.123 -179.805 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.518 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -62.28 -35.19 78.23 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.932 -179.184 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -65.62 -40.03 92.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.42 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.74 -31.25 70.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.004 179.265 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.726 ' O ' HD23 ' A' ' 17' ' ' LEU . 3.4 tp -65.74 -29.45 69.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.122 179.24 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.927 HD22 ' O ' ' A' ' 19' ' ' LEU . 13.1 mt -76.06 -38.05 57.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.986 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.04 -52.0 64.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.842 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.685 HD22 HD11 ' A' ' 41' ' ' LEU . 1.3 mt -74.63 -12.11 60.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.14 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.726 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.1 mm? -90.31 -10.0 45.76 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.44 19.69 2.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.29 0.567 . . . . 0.0 110.173 -178.729 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.927 ' O ' HD22 ' A' ' 14' ' ' LEU . 2.6 tt -110.98 109.38 57.32 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.067 -179.333 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.426 ' O ' HD13 ' A' ' 23' ' ' LEU . 75.6 Cg_exo -47.04 168.3 0.06 OUTLIER 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.731 2.287 . . . . 0.0 113.365 -178.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -90.41 -3.39 57.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.115 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -78.27 -32.57 49.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.093 0.473 . . . . 0.0 110.791 -179.192 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.733 ' CD2' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -103.2 11.66 36.66 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.985 179.7 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.553 ' HE3' HD21 ' A' ' 14' ' ' LEU . 46.3 t-105 -56.02 104.27 0.13 Allowed 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.06 179.474 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.41 -29.67 0.7 Allowed Glycine 0 C--N 1.33 0.227 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.309 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.487 ' HB3' ' HB2' ' A' ' 29' ' ' ARG . 5.4 t0 -77.16 87.37 3.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.742 0.306 . . . . 0.0 110.957 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.672 ' CE1' HG11 ' A' ' 66' ' ' VAL . 50.1 t80 -45.49 -46.77 13.95 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.517 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.02 -32.46 62.66 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.755 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.487 ' HB2' ' HB3' ' A' ' 26' ' ' ASP . 5.5 ttt180 -78.59 -55.49 5.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.712 0.291 . . . . 0.0 111.079 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.805 ' HA ' HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -58.02 -49.57 76.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.137 -179.809 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -56.35 -42.64 78.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.718 0.294 . . . . 0.0 110.783 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 -57.13 -39.9 76.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.318 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.03 -38.94 63.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.561 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.524 ' CE2' ' CB ' ' A' ' 59' ' ' TRP . 25.4 t80 -50.76 -45.69 59.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.846 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.406 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 0.4 OUTLIER -72.51 -36.38 68.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.722 179.754 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -67.16 -35.95 80.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.016 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 78.3 mm-40 -89.58 -21.65 22.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.231 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.3 m -69.12 -32.42 71.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.883 0.373 . . . . 0.0 110.609 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 35' ' ' LYS . 94.0 mt -70.62 -37.28 73.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.192 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.417 HD21 ' HA ' ' A' ' 37' ' ' GLN . 2.7 pp -78.92 -12.06 60.02 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.132 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.685 HD11 HD22 ' A' ' 16' ' ' LEU . 24.2 mt -93.37 1.66 56.83 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.675 -0.239 . . . . 0.0 110.913 179.33 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.47 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 17.9 t-80 -89.97 141.48 28.1 Favored Pre-proline 0 C--N 1.333 -0.139 0 CA-C-O 120.764 0.316 . . . . 0.0 110.785 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 82.4 Cg_exo -45.4 -28.62 4.07 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 123.082 2.521 . . . . 0.0 113.6 -179.57 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.56 -19.75 55.18 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.0 mmtt -119.45 31.01 6.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.786 0.327 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 65.68 76.27 0.35 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.482 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -141.1 157.78 26.12 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.598 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.792 ' CB ' HD13 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -89.91 165.84 13.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.836 0.351 . . . . 0.0 110.91 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.407 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 23.0 t-80 -81.27 -51.27 8.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.785 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.94 -27.18 68.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.45 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.792 HD13 ' CB ' ' A' ' 48' ' ' SER . 7.1 mp -65.18 -51.8 58.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.177 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -26.26 67.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.367 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 20.2 mm-40 -78.97 -30.55 44.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.75 0.309 . . . . 0.0 111.1 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -71.72 -50.21 32.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.161 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.533 HD11 HD21 ' A' ' 17' ' ' LEU . 13.1 tp -65.18 -40.34 94.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.218 -179.698 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -62.11 -39.55 92.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.77 0.319 . . . . 0.0 110.685 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.89 -36.58 64.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.731 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.623 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 53.0 mt -72.62 -24.62 61.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.242 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.601 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 66.3 t-105 -90.27 -19.9 23.57 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.33 -58.98 2.99 Favored Glycine 0 C--N 1.334 0.435 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.517 179.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.707 HG21 ' HB3' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -55.29 -50.18 70.22 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 107.254 -1.387 . . . . 0.0 107.254 178.653 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.755 ' O ' ' HG3' ' A' ' 65' ' ' GLU . 0.9 OUTLIER -45.77 -54.3 8.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 113.411 -1.722 . . . . 0.0 109.012 177.875 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.601 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 1.2 mtmt -58.1 -39.04 77.62 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.841 -1.072 . . . . 0.0 111.026 179.239 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.45 ' HB ' ' O ' ' A' ' 61' ' ' THR . 59.2 m -51.48 -40.03 58.68 Favored 'General case' 0 CA--C 1.521 -0.168 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.181 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.755 ' HG3' ' O ' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -85.14 -24.45 27.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.996 178.38 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.672 HG11 ' CE1' ' A' ' 27' ' ' PHE . 36.7 t . . . . . 0 N--CA 1.457 -0.087 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.593 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.775 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.0 pt? . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.891 0.376 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.1 p -86.08 -174.34 5.03 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.38 -179.24 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 8' ' ' ALA . 12.4 ptm180 -57.51 -36.34 71.42 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.82 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.441 ' N ' ' HG3' ' A' ' 7' ' ' ARG . . . -64.02 -41.41 97.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.717 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.775 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -63.62 -59.7 4.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.101 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.497 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -54.4 -34.39 61.2 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.219 0.533 . . . . 0.0 110.116 179.75 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.496 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 1.5 mm-40 -71.54 -40.37 70.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.402 178.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -44.96 89.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.711 178.737 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.54 HD12 HD12 ' A' ' 55' ' ' LEU . 1.9 tp -60.48 -29.99 69.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.159 179.256 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.897 HD22 ' O ' ' A' ' 19' ' ' LEU . 15.3 mt -74.47 -39.51 62.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.221 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -55.26 -55.34 32.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.958 0.409 . . . . 0.0 110.583 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.446 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 7.2 mp -71.05 -14.83 62.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.965 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.624 ' CD2' HD11 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -90.19 -8.74 50.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.678 -179.62 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.51 20.67 2.15 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.359 0.6 . . . . 0.0 109.903 -178.43 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.897 ' O ' HD22 ' A' ' 14' ' ' LEU . 3.7 tt -110.83 107.09 57.94 Favored Pre-proline 0 N--CA 1.449 -0.516 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.224 -179.088 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.478 ' O ' HD13 ' A' ' 23' ' ' LEU . 52.5 Cg_exo -51.45 166.7 0.46 Allowed 'Trans proline' 0 N--CA 1.464 -0.251 0 C-N-CA 122.4 2.067 . . . . 0.0 112.732 -179.419 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.06 -9.0 58.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.782 179.274 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -69.12 -36.17 77.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.105 -179.328 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.726 HD21 ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -102.32 10.95 38.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.27 179.719 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.722 ' HE3' HD21 ' A' ' 14' ' ' LEU . 62.8 t-105 -52.83 110.19 0.49 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.191 179.407 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 142.89 -24.11 2.28 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.871 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -80.24 101.47 8.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.69 0.281 . . . . 0.0 111.049 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.665 ' CE1' HG11 ' A' ' 66' ' ' VAL . 24.9 t80 -53.5 -51.83 61.56 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.179 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.452 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -54.75 -28.97 48.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.579 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.7 tpp180 -80.95 -54.71 5.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.665 0.269 . . . . 0.0 111.058 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.762 ' HA ' HD13 ' A' ' 19' ' ' LEU . 8.2 ptp -56.17 -45.77 79.57 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.122 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -63.61 -37.83 88.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.705 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.452 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -58.41 -45.27 88.73 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.708 179.672 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.471 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -76.71 -40.89 47.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.97 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.482 ' HB2' HD11 ' A' ' 17' ' ' LEU . 10.9 t80 -52.69 -45.86 67.01 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.89 0.376 . . . . 0.0 110.424 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.89 -34.96 72.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.724 179.649 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -66.24 -40.86 90.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.782 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 20.3 mm100 -83.13 -23.11 33.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.29 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 79.3 p -73.74 -32.46 63.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.875 0.369 . . . . 0.0 110.261 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.525 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 12.1 mt -70.83 -29.63 65.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.913 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.445 HD12 ' HG ' ' A' ' 41' ' ' LEU . 3.1 pp -89.92 -15.35 32.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.009 179.663 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.445 ' HG ' HD12 ' A' ' 40' ' ' LEU . 31.3 mt -95.17 -4.17 46.5 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.195 179.262 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -67.38 126.95 93.28 Favored Pre-proline 0 CA--C 1.532 0.254 0 CA-C-N 116.673 -0.24 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -44.05 -33.41 5.54 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.885 2.39 . . . . 0.0 113.346 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.54 -10.93 60.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.546 -179.516 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.525 ' HG3' ' O ' ' A' ' 39' ' ' LEU . 17.1 mmtt -113.17 31.12 6.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.893 0.377 . . . . 0.0 111.128 -179.495 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 65.47 19.54 66.83 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.791 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -92.6 170.24 32.2 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.523 -0.846 . . . . 0.0 112.566 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.524 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -90.08 137.12 32.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.817 0.341 . . . . 0.0 110.958 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 46.7 p-80 -74.45 -33.66 62.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.59 -21.1 66.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.281 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.524 HD13 ' HB2' ' A' ' 48' ' ' SER . 0.5 OUTLIER -86.31 -50.58 6.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.011 -179.893 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.407 ' HA ' ' HE3' ' A' ' 52' ' ' MET . 5.8 tpt -57.18 -29.31 63.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.271 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.96 -32.22 39.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.935 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.04 -44.83 68.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.952 0.406 . . . . 0.0 110.387 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.624 HD11 ' CD2' ' A' ' 17' ' ' LEU . 9.2 tp -60.95 -42.8 98.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.822 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.22 -29.91 70.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.653 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.5 m -76.51 -36.24 57.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.777 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.626 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 16.6 mt -79.44 -22.31 44.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.559 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 64.1 t-105 -90.28 -21.98 21.81 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.63 -64.47 2.58 Favored Glycine 0 C--N 1.335 0.486 0 C-N-CA 121.037 -0.601 . . . . 0.0 111.749 179.134 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.706 HG23 HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -53.41 -51.69 61.79 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.052 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.549 ' N ' ' CG2' ' A' ' 61' ' ' THR . 1.7 t80 -43.42 -48.97 7.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 113.869 -1.514 . . . . 0.0 109.232 177.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.613 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 0.4 OUTLIER -53.86 -40.99 67.02 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 113.917 -1.492 . . . . 0.0 111.248 179.479 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 93.7 m -47.87 -37.27 13.65 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -85.34 -32.04 22.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.59 178.306 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.665 HG11 ' CE1' ' A' ' 27' ' ' PHE . 78.2 t . . . . . 0 C--N 1.332 -0.166 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.951 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.7 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 121.105 0.479 . . . . 0.0 111.776 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.8 p -89.97 -174.32 4.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.796 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -55.06 -41.15 71.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.347 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.6 -33.44 72.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.607 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.7 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 12.0 m-20 -78.04 -54.22 6.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.975 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.642 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -57.44 -33.84 68.35 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.019 0.437 . . . . 0.0 110.068 179.344 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -69.07 -34.56 75.34 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 178.481 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -35.28 78.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.776 179.034 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.577 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.7 tp -64.2 -36.35 83.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.884 179.171 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.885 HD22 ' O ' ' A' ' 19' ' ' LEU . 11.5 mt -63.21 -40.38 97.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.93 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -57.75 -55.56 33.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.711 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.523 ' HB2' HD13 ' A' ' 55' ' ' LEU . 1.2 mt -65.35 -15.25 62.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 179.625 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.613 ' O ' ' HB1' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -90.15 -10.71 43.51 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -179.536 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.22 19.35 2.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.405 0.621 . . . . 0.0 110.151 -178.716 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.885 ' O ' HD22 ' A' ' 14' ' ' LEU . 3.4 tt -110.47 110.99 57.66 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 115.21 -0.904 . . . . 0.0 109.801 -179.329 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.409 ' O ' HD13 ' A' ' 23' ' ' LEU . 86.7 Cg_exo -45.53 167.6 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.871 2.381 . . . . 0.0 113.567 -178.596 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.437 ' CG ' HD13 ' A' ' 14' ' ' LEU . 19.7 mtt180 -90.16 -3.78 57.67 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.215 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -79.79 -30.34 40.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.955 0.407 . . . . 0.0 111.394 -178.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.743 ' CD2' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -103.77 11.7 35.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.324 -179.868 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.515 ' HE3' HD21 ' A' ' 14' ' ' LEU . 31.0 t-105 -56.47 97.4 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.907 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 161.32 -28.85 0.3 Allowed Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.687 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.4 ' HB3' ' HB2' ' A' ' 29' ' ' ARG . 4.2 t70 -81.28 94.66 6.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.68 0.276 . . . . 0.0 111.123 -179.72 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.741 ' CE1' HG11 ' A' ' 66' ' ' VAL . 30.3 t80 -47.93 -35.6 10.94 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.306 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.544 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -64.55 -37.05 93.91 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.838 -0.696 . . . . 0.0 113.03 -179.49 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.4 ' HB2' ' HB3' ' A' ' 26' ' ' ASP . 28.4 mtp180 -80.33 -43.36 21.33 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -179.305 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.878 ' HA ' HD13 ' A' ' 19' ' ' LEU . 12.6 ptp -64.99 -48.62 73.34 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 121.22 -0.192 . . . . 0.0 111.446 -179.432 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -64.3 -34.4 78.05 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.829 -0.349 . . . . 0.0 110.181 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.544 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.6 OUTLIER -59.25 -50.09 75.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.093 0.473 . . . . 0.0 109.903 179.194 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.613 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -64.31 -42.62 96.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.65 179.481 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.58 ' HB2' HD11 ' A' ' 17' ' ' LEU . 12.3 t80 -50.64 -42.25 56.15 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.827 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -67.73 -41.87 82.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.729 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -60.94 -34.81 75.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.637 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.477 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 64.7 mm-40 -88.69 -20.89 24.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.275 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.6 -27.96 63.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.873 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 69.5 mt -83.91 -26.93 28.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.463 -179.396 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.441 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 4.5 pp -90.03 -19.59 24.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.76 0.314 . . . . 0.0 110.915 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.6 mt -90.69 9.95 27.77 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.982 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.529 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 24.6 t-80 -88.42 142.55 31.41 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.049 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.529 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 25.4 Cg_endo -63.04 -8.94 15.21 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.499 2.132 . . . . 0.0 113.198 -179.28 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -92.26 -24.91 18.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.77 0.319 . . . . 0.0 110.641 179.391 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.432 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -105.2 30.63 5.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.766 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.21 72.37 0.68 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.516 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -152.39 173.24 31.52 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.452 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.13 145.23 25.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.82 0.343 . . . . 0.0 110.988 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.6 p-80 -82.54 -40.15 21.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.416 ' O ' ' HG3' ' A' ' 53' ' ' GLN . . . -58.67 -19.02 35.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.472 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 51' ' ' LEU . 7.7 mt -82.68 -48.38 10.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.829 0.347 . . . . 0.0 111.012 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -32.54 50.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.057 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.423 ' O ' ' OG ' ' A' ' 57' ' ' SER . 0.0 OUTLIER -84.49 -31.74 24.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.591 179.646 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 1.0 OUTLIER -70.07 -43.01 72.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.938 0.399 . . . . 0.0 110.784 179.614 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.612 HD11 ' CD2' ' A' ' 17' ' ' LEU . 9.0 tp -70.11 -39.46 75.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.699 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.32 -34.78 74.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.6 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 53' ' ' GLN . 0.8 OUTLIER -69.93 -28.21 65.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 179.888 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.522 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 1.9 mt -86.74 -28.92 22.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.091 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.603 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 69.4 t-105 -89.72 -18.38 26.5 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.4 -64.56 2.25 Favored Glycine 0 C--N 1.335 0.507 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.995 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.54 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -53.16 -49.7 66.1 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 179.054 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.559 ' O ' HG23 ' A' ' 66' ' ' VAL . 5.5 t80 -44.43 -52.51 7.75 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 113.473 -1.694 . . . . 0.0 109.183 177.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.603 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 0.9 OUTLIER -56.9 -42.44 79.91 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.476 -1.238 . . . . 0.0 111.045 179.079 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.443 ' HB ' ' O ' ' A' ' 61' ' ' THR . 87.0 m -49.07 -36.5 18.61 Favored 'General case' 0 CA--C 1.521 -0.155 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.051 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -85.44 -30.2 23.73 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.459 178.28 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.741 HG11 ' CE1' ' A' ' 27' ' ' PHE . 70.5 t . . . . . 0 N--CA 1.456 -0.14 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.162 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.77 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 1.5 pt? . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.953 0.406 . . . . 0.0 110.829 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 p -84.71 -177.25 6.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.547 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.0 ptt180 -55.64 -35.02 65.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.08 -36.92 83.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.77 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 8.6 m-20 -68.55 -57.4 5.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.486 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -58.3 -39.29 78.94 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.011 0.434 . . . . 0.0 110.195 -179.904 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -67.26 -36.24 81.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.488 178.704 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.914 ' HD2' HD11 ' A' ' 58' ' ' LEU . 14.8 ttm180 -68.03 -33.74 75.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.711 178.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.54 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.9 tp -64.89 -34.72 79.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.686 178.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.944 HD22 ' O ' ' A' ' 19' ' ' LEU . 12.1 mt -65.17 -41.13 94.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -57.84 -43.74 86.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.47 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.411 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 7.1 mp -80.15 -13.87 58.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.85 179.528 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.751 ' O ' ' HB1' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -90.25 -9.16 49.02 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.772 -179.628 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.78 19.07 3.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.303 0.573 . . . . 0.0 109.956 -178.444 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.944 ' O ' HD22 ' A' ' 14' ' ' LEU . 3.2 tt -112.15 110.82 53.5 Favored Pre-proline 0 N--CA 1.449 -0.489 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.804 -179.197 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.442 ' O ' HD13 ' A' ' 23' ' ' LEU . 75.2 Cg_exo -47.02 166.85 0.08 OUTLIER 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.572 2.181 . . . . 0.0 112.997 -179.001 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.18 -2.98 58.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.422 179.66 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.94 -28.35 35.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.788 0.328 . . . . 0.0 111.185 -179.26 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.681 HD21 ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -105.1 11.48 33.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.229 179.92 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.589 ' HE3' HD21 ' A' ' 14' ' ' LEU . 44.0 t-105 -55.63 96.47 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.996 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 162.29 -28.98 0.27 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.627 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.439 ' HB3' ' HB2' ' A' ' 29' ' ' ARG . 5.3 t0 -78.57 94.88 5.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.825 0.345 . . . . 0.0 110.919 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.741 ' CE1' HG11 ' A' ' 66' ' ' VAL . 44.6 t80 -49.51 -39.85 35.65 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.722 -179.583 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.15 -32.58 82.97 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.814 -0.707 . . . . 0.0 113.391 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.545 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -82.36 -46.46 13.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.725 0.263 . . . . 0.0 111.663 -179.35 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.791 ' HA ' HD13 ' A' ' 19' ' ' LEU . 14.5 ptp -58.05 -46.49 85.29 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.599 0.238 . . . . 0.0 110.863 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -62.01 -43.86 97.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.855 0.36 . . . . 0.0 110.182 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -59.45 -32.98 70.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.999 179.226 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.751 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -78.9 -42.78 26.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.316 179.367 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.447 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 13.4 t80 -53.2 -47.69 68.7 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.465 179.448 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.61 -37.33 68.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.54 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.4 -35.65 72.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.431 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 82.6 mm-40 -90.13 -20.95 22.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.022 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.0 m -69.25 -28.42 66.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.397 179.449 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.407 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 5.0 mt -73.93 -32.09 63.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.052 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.729 HD12 ' HG ' ' A' ' 41' ' ' LEU . 2.7 pp -87.67 -15.89 35.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.425 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.729 ' HG ' HD12 ' A' ' 40' ' ' LEU . 20.1 mt -95.15 3.14 55.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.403 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -76.93 130.03 77.01 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-O 120.806 0.336 . . . . 0.0 111.006 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_exo -43.82 -38.7 9.99 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.225 2.616 . . . . 0.0 113.875 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.18 -13.73 20.16 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 -179.195 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 39' ' ' LEU . 7.7 mmtm -103.75 31.0 4.69 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.832 0.349 . . . . 0.0 110.937 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 61.74 17.52 54.44 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.856 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -93.46 179.48 38.94 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.398 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.808 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.7 OUTLIER -90.03 145.78 24.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.789 0.328 . . . . 0.0 110.913 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -83.32 -35.29 25.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.934 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.36 -32.56 74.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.095 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.808 HD13 ' HB2' ' A' ' 48' ' ' SER . 6.1 mp -59.89 -56.49 21.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.68 -31.55 64.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -64.18 -29.58 70.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.81 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -43.01 35.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.52 HD11 ' CD2' ' A' ' 17' ' ' LEU . 7.7 tp -55.66 -46.44 77.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.992 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -59.23 -31.08 68.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.7 m -77.35 -53.23 7.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.933 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.914 HD11 ' HD2' ' A' ' 12' ' ' ARG . 11.1 mt -62.39 -28.34 69.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.059 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.53 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 63.2 t-105 -90.1 -24.57 21.08 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 179.507 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.462 ' HA2' ' NZ ' ' A' ' 63' ' ' LYS . . . -69.47 -65.85 2.44 Favored Glycine 0 C--N 1.335 0.508 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.962 179.217 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.718 HG23 HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -50.5 -50.15 53.63 Favored 'General case' 0 CA--C 1.513 -0.475 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 178.765 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.537 ' N ' ' CG2' ' A' ' 61' ' ' THR . 7.5 t80 -45.65 -51.35 12.39 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 113.348 -1.751 . . . . 0.0 109.359 177.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.565 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 0.2 OUTLIER -55.85 -39.05 70.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.307 -1.315 . . . . 0.0 111.333 179.747 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.438 ' HB ' ' O ' ' A' ' 61' ' ' THR . 89.0 m -47.32 -38.69 13.22 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 121.395 0.617 . . . . 0.0 109.481 179.402 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -85.72 -31.56 22.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.859 178.495 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.741 HG11 ' CE1' ' A' ' 27' ' ' PHE . 62.9 t . . . . . 0 C--O 1.23 0.066 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.049 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.824 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.5 pt? . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.868 0.366 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 p -85.4 -174.07 5.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.403 -179.169 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.9 mtt180 -57.54 -38.57 74.93 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.689 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.03 -40.81 98.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.111 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.824 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 4.6 m-20 -64.81 -59.09 4.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.851 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.459 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -57.44 -37.9 73.57 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.985 0.422 . . . . 0.0 110.367 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -64.9 -38.11 89.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.275 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 -75.19 -34.02 61.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.141 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.631 ' O ' HD13 ' A' ' 17' ' ' LEU . 2.3 tp -62.95 -35.0 78.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.137 179.307 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.715 HD22 ' O ' ' A' ' 19' ' ' LEU . 25.4 mt -71.62 -41.54 68.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.863 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -57.04 -28.96 62.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.796 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.2 mt -89.51 -24.32 21.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.09 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.721 HD11 HD11 ' A' ' 55' ' ' LEU . 8.6 mp -87.51 -2.51 58.66 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.45 19.79 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.299 0.571 . . . . 0.0 109.902 -178.732 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.874 HD13 ' HA ' ' A' ' 30' ' ' MET . 3.0 tt -109.87 109.49 59.32 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.98 -179.282 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.414 ' O ' HD13 ' A' ' 23' ' ' LEU . 78.6 Cg_exo -46.63 169.29 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.819 2.346 . . . . 0.0 113.235 -179.071 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -90.04 -10.63 44.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.789 179.197 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -32.51 69.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.377 -178.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.817 HD21 HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -102.03 10.0 39.94 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.387 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.649 ' HE3' HD21 ' A' ' 14' ' ' LEU . 69.4 t-105 -50.55 108.26 0.22 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.302 179.527 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 143.32 -23.93 2.21 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.959 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.427 ' HB3' ' HB2' ' A' ' 29' ' ' ARG . 15.6 t0 -78.1 93.14 4.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.77 0.319 . . . . 0.0 111.138 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.467 ' HA ' ' HG2' ' A' ' 30' ' ' MET . 20.4 t80 -51.75 -40.97 61.21 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.936 -179.737 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.01 -37.71 93.42 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 113.44 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.427 ' HB2' ' HB3' ' A' ' 26' ' ' ASP . 2.1 mmt-85 -78.63 -37.12 42.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.73 0.265 . . . . 0.0 111.487 -179.349 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.874 ' HA ' HD13 ' A' ' 19' ' ' LEU . 12.0 ptp -68.58 -45.97 70.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.641 0.258 . . . . 0.0 110.824 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -61.02 -37.34 82.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.901 0.381 . . . . 0.0 110.306 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.98 -46.52 88.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.337 179.392 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.495 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -72.69 -32.0 65.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.829 179.683 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.484 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 14.1 t80 -63.79 -44.79 92.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.628 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.3 -42.56 96.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.857 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -65.3 -30.94 71.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.429 ' HG3' ' HA ' ' A' ' 17' ' ' LEU . 98.5 mm-40 -87.46 -22.12 25.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.055 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.5 m -76.03 -30.68 58.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.472 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.89 -35.74 69.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.905 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 pp -84.15 -13.77 51.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.197 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.731 HD22 ' HB3' ' A' ' 51' ' ' LEU . 37.0 mt -93.35 1.97 56.73 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 120.776 0.322 . . . . 0.0 110.922 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.529 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 4.8 t-80 -78.7 140.01 58.77 Favored Pre-proline 0 CA--C 1.531 0.217 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.367 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.529 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 20.2 Cg_endo -62.33 -14.96 41.83 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.82 2.346 . . . . 0.0 113.856 -178.749 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.69 -20.78 28.87 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.984 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.434 ' HD3' ' HB3' ' A' ' 42' ' ' HIS . 0.2 OUTLIER -103.12 28.66 6.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.948 0.404 . . . . 0.0 110.62 179.625 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.43 30.16 60.8 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.468 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 43' ' ' PRO . . . -105.73 163.06 14.01 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.979 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.54 158.6 16.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.992 0.425 . . . . 0.0 111.234 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -78.18 -49.65 13.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.628 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.432 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -55.6 -36.5 67.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.535 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.731 ' HB3' HD22 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -70.33 -48.56 55.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.919 0.39 . . . . 0.0 110.708 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.404 ' HE3' HD23 ' A' ' 55' ' ' LEU . 7.5 tpt -57.84 -48.93 78.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.251 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -69.16 -32.66 72.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.211 -179.638 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 1.9 mt-10 -62.28 -41.38 98.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.958 0.408 . . . . 0.0 110.521 179.612 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.721 HD11 HD11 ' A' ' 17' ' ' LEU . 37.2 tp -64.28 -51.52 63.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.935 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.11 -37.78 81.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.719 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.6 -37.95 88.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.786 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.613 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 21.0 mt -82.52 -23.58 34.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.563 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 71.1 t-105 -89.77 -18.24 26.69 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.96 -61.08 2.75 Favored Glycine 0 C--N 1.335 0.484 0 C-N-CA 120.995 -0.621 . . . . 0.0 111.702 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.561 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -55.76 -50.43 70.45 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 178.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.561 ' N ' ' CG2' ' A' ' 61' ' ' THR . 1.5 t80 -44.35 -49.1 9.69 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 113.406 -1.725 . . . . 0.0 109.481 177.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.586 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 1.8 ttmt -59.64 -34.97 73.48 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 114.237 -1.347 . . . . 0.0 111.131 179.719 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.1 m -47.23 -37.8 11.1 Favored 'General case' 0 CA--C 1.521 -0.147 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.221 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -85.61 -33.3 21.68 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.678 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.586 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 78.5 t . . . . . 0 C--O 1.232 0.163 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.747 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.821 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.179 0 CA-C-O 121.331 0.586 . . . . 0.0 112.308 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.44 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 90.0 p -90.57 -177.32 5.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.136 -179.06 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.418 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . 9.6 mtt180 -54.65 -35.8 63.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.919 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.06 -36.06 77.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.615 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.821 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 17.4 m-20 -84.89 -46.03 11.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.261 -179.539 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.724 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -62.39 -35.36 78.94 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.161 179.671 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.44 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 7.7 mm-40 -68.74 -34.46 75.64 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.635 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -60.86 -32.54 71.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.833 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.635 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.7 tp -68.43 -36.25 78.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.918 179.243 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.841 HD22 ' O ' ' A' ' 19' ' ' LEU . 14.2 mt -68.53 -38.44 80.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.064 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.79 -50.46 70.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.857 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.766 HD21 HD23 ' A' ' 51' ' ' LEU . 1.9 mt -75.28 -15.66 60.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.094 179.595 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.635 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.3 mm? -90.16 -8.3 51.55 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.787 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.37 20.77 1.5 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.34 0.59 . . . . 0.0 110.229 -178.625 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.841 ' O ' HD22 ' A' ' 14' ' ' LEU . 3.6 tt -107.89 107.64 60.5 Favored Pre-proline 0 N--CA 1.449 -0.516 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.813 -179.681 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.418 ' O ' HD13 ' A' ' 23' ' ' LEU . 88.0 Cg_exo -47.22 168.31 0.07 OUTLIER 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.742 2.295 . . . . 0.0 113.143 -178.802 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.87 -5.01 58.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.89 179.384 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -75.71 -33.99 60.35 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.152 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.714 HD21 ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -104.4 12.96 32.8 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.346 -179.743 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.674 ' HE3' HD21 ' A' ' 14' ' ' LEU . 54.4 t-105 -55.89 105.71 0.21 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.037 179.348 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 150.33 -21.26 1.08 Allowed Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.91 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.444 ' O ' ' HG2' ' A' ' 30' ' ' MET . 21.6 t0 -84.35 108.44 17.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.663 0.231 . . . . 0.0 111.038 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.785 ' CE1' HG11 ' A' ' 66' ' ' VAL . 12.3 t80 -61.42 -40.18 93.49 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.699 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.59 -33.22 84.16 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.774 -0.727 . . . . 0.0 113.244 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.447 ' HB3' HD11 ' A' ' 19' ' ' LEU . 40.8 mtt-85 -82.99 -41.93 18.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.86 0.33 . . . . 0.0 111.669 -179.298 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.565 ' HA ' HD13 ' A' ' 19' ' ' LEU . 14.2 ptp -65.98 -49.09 69.07 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 121.323 -0.151 . . . . 0.0 111.111 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -63.3 -40.54 97.63 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.499 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 7.0 tp60 -60.51 -38.95 86.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.946 179.116 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.19 -42.35 55.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.595 179.386 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.479 ' CD2' ' CG ' ' A' ' 59' ' ' TRP . 11.9 t80 -51.77 -39.33 58.41 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.706 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -74.25 -42.84 59.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.975 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.499 ' HG2' ' O ' ' A' ' 32' ' ' GLN . 27.2 mm-40 -65.65 -31.93 73.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.628 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.89 ' OE1' HD21 ' A' ' 40' ' ' LEU . 97.8 mm-40 -87.31 -22.69 24.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.02 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.41 -22.07 62.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.439 179.096 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mt -83.75 -32.15 25.59 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.253 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.89 HD21 ' OE1' ' A' ' 37' ' ' GLN . 4.3 pp -85.19 -10.45 56.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.3 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.459 HD12 ' O ' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -95.09 -10.13 31.63 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.795 0.331 . . . . 0.0 110.952 179.462 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.559 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 2.4 t-80 -58.91 145.36 79.64 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.405 179.27 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.552 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 38.5 Cg_endo -67.3 -8.57 22.4 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.355 2.037 . . . . 0.0 112.755 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.435 ' HB3' ' HD2' ' A' ' 45' ' ' LYS . 2.2 t70 -88.48 -22.08 23.84 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 120.654 0.264 . . . . 0.0 110.853 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.559 ' HD3' ' HB3' ' A' ' 42' ' ' HIS . 0.2 OUTLIER -106.72 29.56 6.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.834 0.349 . . . . 0.0 110.639 179.594 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.48 66.27 2.41 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.433 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -137.29 161.91 25.31 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.413 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.689 ' HB2' HD13 ' A' ' 51' ' ' LEU . 1.1 m -90.18 133.81 34.67 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.754 0.311 . . . . 0.0 110.805 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.438 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 5.9 p80 -69.34 -28.63 66.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.892 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.58 -27.74 66.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.554 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.766 HD23 HD21 ' A' ' 16' ' ' LEU . 1.7 mp -78.27 -50.29 12.12 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.983 0.42 . . . . 0.0 111.011 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.93 -51.62 63.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.674 -179.428 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 3.0 pt20 -64.03 -26.88 68.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.631 0.253 . . . . 0.0 111.151 -179.512 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -73.44 -39.07 65.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.09 0.471 . . . . 0.0 110.451 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.454 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 13.6 tp -58.04 -42.28 85.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.267 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -62.05 -29.06 70.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.04 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.1 t -76.72 -28.4 55.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.207 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.637 HD23 HD23 ' A' ' 5' ' ' LEU . 17.4 mt -89.84 -31.45 17.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.166 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.675 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 66.0 t-105 -88.07 -17.05 31.94 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 179.622 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.42 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -78.95 -59.66 2.73 Favored Glycine 0 C--N 1.338 0.676 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.156 179.398 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.548 HG21 ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -57.08 -50.59 72.31 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 179.221 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.547 ' N ' ' CG2' ' A' ' 61' ' ' THR . 4.7 t80 -43.55 -51.09 7.02 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 113.359 -1.746 . . . . 0.0 109.311 177.713 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.675 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 1.2 ttmt -55.76 -39.45 71.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.191 -1.368 . . . . 0.0 111.162 179.304 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.428 ' HB ' ' O ' ' A' ' 61' ' ' THR . 91.5 m -48.25 -37.58 16.47 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.191 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -85.2 -29.94 24.3 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.793 178.529 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.785 HG11 ' CE1' ' A' ' 27' ' ' PHE . 70.3 t . . . . . 0 N--CA 1.453 -0.308 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.949 179.784 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.808 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER . . . . . 0 CA--C 1.522 -0.133 0 CA-C-O 121.382 0.611 . . . . 0.0 112.292 . . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.425 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 27.0 p -90.61 -174.26 4.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.436 -179.44 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.424 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 7.5 mtt180 -58.07 -39.17 77.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.656 179.893 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.37 -49.13 76.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.303 179.923 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.808 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 21.8 m-20 -64.82 -57.22 9.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.952 -179.836 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.49 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -54.12 -31.76 53.11 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.999 0.428 . . . . 0.0 110.009 179.53 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 8.7 mt-10 -65.9 -38.74 89.51 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.583 178.502 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -62.46 -30.59 71.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.905 179.195 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.741 ' O ' HD23 ' A' ' 17' ' ' LEU . 3.1 tp -70.73 -31.62 68.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.987 179.149 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.924 HD22 ' O ' ' A' ' 19' ' ' LEU . 11.7 mt -72.96 -41.12 64.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.988 179.748 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -54.61 -47.03 73.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.017 0.437 . . . . 0.0 110.526 179.667 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.582 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 18.1 mt -77.58 -15.51 59.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.074 179.685 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.742 ' CD2' HD11 ' A' ' 55' ' ' LEU . 1.3 mm? -90.44 -7.18 53.76 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -179.718 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 52.92 20.29 1.6 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.32 0.581 . . . . 0.0 110.292 -178.879 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.924 ' O ' HD22 ' A' ' 14' ' ' LEU . 3.2 tt -109.57 109.35 59.92 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.142 -179.204 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.414 ' O ' HD13 ' A' ' 23' ' ' LEU . 86.0 Cg_exo -47.99 167.92 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.752 2.302 . . . . 0.0 113.672 -178.695 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.439 ' HG3' HD12 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -88.65 -3.26 58.83 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.549 179.924 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.16 -30.6 30.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.992 0.425 . . . . 0.0 111.05 -178.947 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.703 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -106.29 13.12 29.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.479 -179.892 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.625 ' HE3' HD21 ' A' ' 14' ' ' LEU . 54.8 t-105 -53.74 96.79 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.168 179.516 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 159.16 -25.02 0.33 Allowed Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.828 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -77.26 97.28 4.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.8 0.333 . . . . 0.0 111.169 -179.832 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.722 ' CE1' HG11 ' A' ' 66' ' ' VAL . 24.9 t80 -52.48 -37.18 56.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.938 0.399 . . . . 0.0 111.473 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.451 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -63.87 -34.73 90.73 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.874 -0.679 . . . . 0.0 113.477 -179.277 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -81.23 -44.15 18.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.866 0.333 . . . . 0.0 111.721 -179.167 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.651 ' HA ' HD13 ' A' ' 19' ' ' LEU . 14.8 ptp -63.08 -46.32 87.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.63 0.252 . . . . 0.0 111.044 -179.875 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -64.86 -35.45 81.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.777 0.322 . . . . 0.0 110.509 179.748 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.451 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -61.86 -45.48 93.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 0.0 109.916 179.378 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.449 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -71.33 -43.33 67.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.577 179.493 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.441 ' HB2' HD11 ' A' ' 17' ' ' LEU . 13.1 t80 -50.76 -50.27 56.22 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-O 120.958 0.408 . . . . 0.0 110.59 179.43 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -66.05 -29.77 70.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.944 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -72.43 -51.02 22.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.106 0.479 . . . . 0.0 110.812 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.582 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 79.4 mm-40 -71.39 -17.79 62.39 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.345 -179.65 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.6 m -69.52 -31.89 70.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.988 0.423 . . . . 0.0 110.367 179.253 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.7 mt -69.61 -34.0 73.47 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.119 -179.862 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 4.4 pp -87.08 -15.7 37.76 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.625 0.25 . . . . 0.0 111.278 179.912 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.634 HD22 ' HB3' ' A' ' 51' ' ' LEU . 60.2 mt -95.11 6.16 49.83 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 120.751 0.31 . . . . 0.0 110.853 179.33 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.582 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 10.3 t-80 -89.64 143.38 30.34 Favored Pre-proline 0 C--N 1.332 -0.179 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.633 179.838 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.582 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 33.4 Cg_endo -65.33 -10.26 25.31 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.708 2.272 . . . . 0.0 113.494 -179.14 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -85.47 -18.66 32.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.682 0.277 . . . . 0.0 110.945 179.58 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt -116.3 30.93 7.04 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.794 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.48 32.52 57.62 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.706 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -105.8 161.3 14.5 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.533 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.799 ' CB ' HD13 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -90.25 147.38 23.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.701 0.286 . . . . 0.0 110.878 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -73.41 -43.15 61.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.566 179.706 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.68 -30.07 71.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.778 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.799 HD13 ' CB ' ' A' ' 48' ' ' SER . 5.8 mp -67.24 -49.44 64.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.698 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -25.85 68.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.832 179.588 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -73.3 -33.78 65.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.91 -54.21 38.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.921 -179.89 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.742 HD11 ' CD2' ' A' ' 17' ' ' LEU . 8.9 tp -58.01 -45.7 86.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.146 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.73 -39.68 81.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.962 -179.837 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 41.6 t -70.11 -46.88 63.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.898 0.38 . . . . 0.0 110.855 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.565 HD23 ' CD2' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -69.83 -25.57 63.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 179.86 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.625 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 70.6 t-105 -89.61 -11.69 41.92 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.16 179.49 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -79.49 -63.33 2.04 Favored Glycine 0 C--N 1.337 0.6 0 C-N-CA 120.917 -0.659 . . . . 0.0 111.735 179.303 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.54 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -57.07 -51.14 70.47 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 178.832 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.54 ' N ' ' CG2' ' A' ' 61' ' ' THR . 4.1 t80 -42.98 -50.05 5.92 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 113.675 -1.602 . . . . 0.0 109.36 178.033 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.625 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 4.0 ttmt -55.08 -43.78 74.24 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.45 -1.25 . . . . 0.0 111.323 179.417 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.5 m -47.14 -36.64 8.74 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.298 0.57 . . . . 0.0 109.551 179.322 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -85.43 -31.38 22.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.397 178.293 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.722 HG11 ' CE1' ' A' ' 27' ' ' PHE . 51.6 t . . . . . 0 C--O 1.231 0.122 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.812 179.538 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.797 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.2 pt? . . . . . 0 N--CA 1.461 0.109 0 CA-C-O 121.038 0.447 . . . . 0.0 111.325 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.3 p -90.33 -172.18 3.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.353 -179.337 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.6 mmt85 -59.94 -36.45 77.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.349 179.562 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.82 -42.59 99.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.161 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.797 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 40.7 m-20 -63.1 -59.07 5.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.109 -179.902 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.47 ' N ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -59.55 -38.61 81.53 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.77 0.319 . . . . 0.0 110.517 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.419 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 5.2 tp10 -65.18 -27.2 68.53 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.416 179.22 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.9 tpp180 -85.29 -29.48 24.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.39 179.411 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.432 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.6 tp -70.79 -34.86 72.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.185 179.439 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.909 HD22 ' O ' ' A' ' 19' ' ' LEU . 12.8 mt -70.17 -38.65 75.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.837 179.708 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.29 -41.07 83.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.514 179.732 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.577 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 0.4 OUTLIER -79.71 -19.46 48.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.984 179.927 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.523 HD12 ' HB3' ' A' ' 33' ' ' ALA . 1.3 mm? -90.25 -6.24 55.44 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -179.804 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.86 21.47 1.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.428 0.632 . . . . 0.0 109.874 -178.727 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.909 ' O ' HD22 ' A' ' 14' ' ' LEU . 3.4 tt -109.74 110.87 59.24 Favored Pre-proline 0 N--CA 1.449 -0.487 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.661 -179.054 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.405 ' O ' HD13 ' A' ' 23' ' ' LEU . 79.3 Cg_exo -48.72 169.11 0.09 OUTLIER 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.598 2.199 . . . . 0.0 113.243 -178.863 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.469 ' HG2' HD12 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -88.96 -13.05 39.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.741 179.253 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -65.92 -36.29 82.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.071 -179.459 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.856 HD21 HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -100.77 7.89 43.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.159 179.789 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.624 ' HE3' HD21 ' A' ' 14' ' ' LEU . 60.5 t-105 -50.66 99.71 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.174 179.587 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.21 -23.93 0.59 Allowed Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.939 179.857 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.417 ' O ' ' HG2' ' A' ' 30' ' ' MET . 30.4 t0 -79.0 85.91 4.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.665 0.269 . . . . 0.0 111.181 -179.78 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.683 ' CD1' HG11 ' A' ' 66' ' ' VAL . 16.6 t80 -45.0 -40.27 6.33 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.762 -179.84 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.37 -37.8 95.39 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.855 -0.688 . . . . 0.0 113.266 -179.429 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -50.06 17.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.66 0.267 . . . . 0.0 111.53 -179.399 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.682 ' HA ' HD13 ' A' ' 19' ' ' LEU . 12.4 ptp -57.78 -48.27 80.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.324 -179.504 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -57.85 -37.59 74.16 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.93 0.395 . . . . 0.0 110.158 179.568 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -41.92 98.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.968 179.138 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.523 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -72.57 -38.97 67.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.606 179.425 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.4 ' HB2' HD11 ' A' ' 17' ' ' LEU . 10.1 t80 -54.0 -39.59 66.21 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.491 179.642 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.416 ' HA ' ' HB2' ' A' ' 38' ' ' SER . 0.9 OUTLIER -73.51 -35.84 65.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.678 179.756 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -60.22 -45.28 93.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.987 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.577 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 18.7 mp0 -83.87 -20.71 32.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.101 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.416 ' HB2' ' HA ' ' A' ' 35' ' ' LYS . 1.0 OUTLIER -72.42 -26.76 61.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.341 179.328 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.6 mt -72.57 -31.43 65.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.381 -179.72 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.9 pp -88.62 -16.5 32.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.676 0.274 . . . . 0.0 110.934 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.7 mt -95.02 1.89 55.22 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 120.863 0.363 . . . . 0.0 110.611 178.848 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.54 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 5.8 t-80 -81.55 134.5 50.99 Favored Pre-proline 0 CA--C 1.529 0.155 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.357 179.629 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.54 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 13.0 Cg_endo -57.05 -16.94 22.73 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.665 2.243 . . . . 0.0 113.277 -179.304 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.37 -20.02 32.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.577 0.227 . . . . 0.0 111.235 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -111.17 30.75 6.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.92 0.39 . . . . 0.0 110.672 179.839 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.05 49.56 74.16 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.596 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -112.28 -178.68 19.87 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.392 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.16 140.1 30.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.331 . . . . 0.0 110.861 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.48 -42.62 18.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.52 -31.68 72.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.444 -179.874 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.1 mt -70.71 -49.31 48.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.29 -34.52 33.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.211 -179.89 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.6 mm100 -74.9 -30.54 61.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.79 179.655 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.38 -57.23 8.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.79 179.821 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.449 HD11 HD23 ' A' ' 17' ' ' LEU . 11.3 tp -58.18 -33.22 69.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -62.21 -48.48 79.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.588 179.663 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 57.3 p -66.12 -45.47 80.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.587 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 13.5 mt -68.24 -27.44 66.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.24 -179.784 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.521 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 65.5 t-105 -90.3 -15.76 30.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.276 179.886 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.417 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -80.56 -63.81 1.89 Allowed Glycine 0 C--N 1.336 0.544 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.833 179.138 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.693 HG23 HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -52.91 -49.6 65.61 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 178.856 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.515 ' N ' ' CG2' ' A' ' 61' ' ' THR . 6.7 t80 -44.39 -52.29 7.85 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 113.405 -1.725 . . . . 0.0 109.433 178.023 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.602 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 2.6 ttmt -55.09 -40.67 70.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.124 -1.398 . . . . 0.0 111.205 179.564 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.459 ' HB ' ' O ' ' A' ' 61' ' ' THR . 96.5 m -49.99 -36.19 27.39 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 178.963 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -85.22 -31.72 23.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.157 -0.928 . . . . 0.0 109.505 178.265 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.683 HG11 ' CD1' ' A' ' 27' ' ' PHE . 72.8 t . . . . . 0 N--CA 1.456 -0.174 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.917 -179.872 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.793 HD13 ' HB3' ' A' ' 10' ' ' LYS . 0.8 OUTLIER . . . . . 0 CA--C 1.523 -0.089 0 CA-C-O 120.963 0.411 . . . . 0.0 111.483 . . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.4 p -80.67 -178.16 6.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.31 179.673 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 7' ' ' ARG . 1.0 OUTLIER -56.32 -38.92 71.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.903 179.955 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.24 -42.44 83.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.458 -179.82 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.779 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 47.2 m-20 -67.01 -52.29 44.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.242 -179.662 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.793 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.5 OUTLIER -57.26 -36.57 71.13 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.969 0.414 . . . . 0.0 110.043 179.428 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.421 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 2.0 mt-10 -69.98 -30.27 67.56 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.771 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.448 HH21 HD11 ' A' ' 58' ' ' LEU . 25.7 ttp180 -67.85 -42.62 81.08 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.59 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.486 HD13 ' HB3' ' A' ' 58' ' ' LEU . 1.5 tp -53.39 -36.36 61.36 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.911 178.921 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.654 HD22 ' O ' ' A' ' 19' ' ' LEU . 13.7 mt -64.63 -50.66 66.24 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.31 179.912 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -48.97 -31.7 7.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.326 -179.476 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 mp -82.8 -35.95 25.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.94 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.774 HD11 HD11 ' A' ' 55' ' ' LEU . 9.1 mp -78.19 3.04 16.24 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -179.808 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.85 18.62 3.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.431 0.634 . . . . 0.0 109.765 -178.72 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.807 HD13 ' HA ' ' A' ' 30' ' ' MET . 5.5 tt -114.6 104.67 54.26 Favored Pre-proline 0 N--CA 1.448 -0.526 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.08 -179.206 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.54 ' C ' HD13 ' A' ' 14' ' ' LEU . 38.6 Cg_exo -58.08 173.91 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.805 2.337 . . . . 0.0 113.346 -178.673 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.87 -11.99 54.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.776 179.029 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.09 -28.06 69.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.961 -179.49 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.765 HD21 ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -116.32 13.02 15.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.198 179.947 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.599 ' HE3' HD11 ' A' ' 14' ' ' LEU . 44.3 t-105 -52.85 104.89 0.1 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.131 179.312 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 151.19 -32.33 0.95 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.809 179.897 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -73.91 88.24 1.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 0.0 110.978 -179.815 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.499 ' CE1' HG11 ' A' ' 66' ' ' VAL . 16.0 t80 -46.95 -43.12 18.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.934 -179.69 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.22 -32.94 68.48 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.876 -0.678 . . . . 0.0 113.264 -179.36 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.01 -46.76 12.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.801 0.3 . . . . 0.0 111.634 -179.254 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.807 ' HA ' HD13 ' A' ' 19' ' ' LEU . 13.7 ptp -61.98 -44.53 96.55 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.063 -179.805 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -63.7 -43.27 97.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.864 0.364 . . . . 0.0 110.4 179.574 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -60.85 -42.06 97.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.329 179.412 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.441 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -73.82 -31.44 63.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.577 179.634 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.494 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 7.9 t80 -62.39 -46.74 87.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.449 179.6 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.98 -40.6 95.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.83 179.864 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -60.45 -29.76 69.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.715 179.878 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.417 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 9.8 mm-40 -83.96 -30.82 25.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.401 ' HA ' ' HE3' ' A' ' 52' ' ' MET . 36.8 m -57.63 -26.29 61.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.132 179.854 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.65 -43.92 21.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.471 -179.56 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.1 pp -81.63 -7.55 59.6 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -179.602 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.924 HD22 ' HB3' ' A' ' 51' ' ' LEU . 80.3 mt -91.49 5.78 48.14 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.856 0.36 . . . . 0.0 110.988 179.335 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.52 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 7.1 t-80 -89.99 131.97 37.62 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.285 179.81 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.52 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 11.7 Cg_endo -55.77 -14.99 11.8 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.478 2.119 . . . . 0.0 112.716 -179.815 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -80.1 -22.34 42.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.812 0.339 . . . . 0.0 111.066 179.704 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -109.02 30.06 6.92 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.847 -179.909 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 69.07 45.03 63.88 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.564 179.859 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -122.17 168.04 14.75 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.551 179.867 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.76 ' CB ' HD13 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -90.12 158.2 17.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.816 0.341 . . . . 0.0 110.9 -179.989 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -83.24 -50.75 8.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.874 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.54 ' HB1' ' OE2' ' A' ' 54' ' ' GLU . . . -55.2 -23.63 23.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.384 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.924 ' HB3' HD22 ' A' ' 41' ' ' LEU . 6.3 mp -66.72 -54.25 24.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.346 -179.768 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.401 ' HE3' ' HA ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -61.99 -52.92 62.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.647 -179.413 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.409 ' CG ' ' HA ' ' A' ' 50' ' ' ALA . 1.2 pp0? -58.84 -29.08 66.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.625 -179.375 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.54 ' OE2' ' HB1' ' A' ' 50' ' ' ALA . 20.6 mt-10 -81.93 -41.19 21.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 0.0 111.009 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.774 HD11 HD11 ' A' ' 17' ' ' LEU . 36.3 tp -57.03 -49.45 75.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.403 -179.524 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -58.1 -38.15 75.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.371 . . . . 0.0 111.196 -179.789 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.14 -46.22 78.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.179 -179.826 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.517 HD23 ' CD2' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -70.86 -25.53 62.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.229 -179.804 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.685 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 69.2 t-105 -88.66 -20.3 25.07 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.4 -179.941 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.51 -63.66 2.43 Favored Glycine 0 C--N 1.333 0.407 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.268 179.296 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.563 ' CG2' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -53.45 -50.47 65.22 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 179.25 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.54 ' N ' ' CG2' ' A' ' 61' ' ' THR . 2.1 t80 -43.68 -51.55 7.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 113.619 -1.628 . . . . 0.0 109.185 177.549 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.685 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 0.4 OUTLIER -56.75 -44.46 81.74 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 113.974 -1.466 . . . . 0.0 111.24 179.235 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.8 m -47.79 -36.31 11.49 Favored 'General case' 0 CA--C 1.521 -0.154 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.232 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.49 -31.97 22.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.576 178.297 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.552 ' HB ' ' HA ' ' A' ' 63' ' ' LYS . 44.9 t . . . . . 0 C--O 1.231 0.094 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.947 179.861 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.805 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.336 0.588 . . . . 0.0 112.479 . . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.445 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 80.8 p -90.38 -178.58 5.39 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.12 -179.613 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.1 -37.18 53.29 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.424 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.56 -47.99 71.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.32 -179.862 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.805 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 39.7 m-20 -68.49 -52.77 28.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.206 -179.641 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.557 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -56.45 -34.68 67.09 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.052 0.453 . . . . 0.0 109.987 179.561 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.409 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 1.6 mm-40 -68.81 -33.02 73.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.489 178.68 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.4 ' HB3' ' O ' ' A' ' 9' ' ' ASP . 19.5 ttt85 -63.89 -34.85 78.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.764 179.163 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.717 ' O ' HD23 ' A' ' 17' ' ' LEU . 3.7 tp -64.52 -36.1 83.09 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.755 179.091 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.748 HD22 ' O ' ' A' ' 19' ' ' LEU . 12.1 mt -66.79 -35.35 79.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.96 179.76 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.07 -51.82 68.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.724 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.443 ' HB2' HD13 ' A' ' 55' ' ' LEU . 3.7 mm? -73.27 -12.16 60.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.75 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.717 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.6 mm? -90.29 -9.44 47.87 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -179.603 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.3 20.07 2.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.371 0.605 . . . . 0.0 109.823 -178.614 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.781 HD13 ' HA ' ' A' ' 30' ' ' MET . 2.9 tt -111.9 110.02 54.68 Favored Pre-proline 0 N--CA 1.45 -0.471 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.748 -179.219 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.461 ' O ' HD13 ' A' ' 23' ' ' LEU . 79.0 Cg_exo -47.16 168.0 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.756 2.304 . . . . 0.0 113.375 -178.787 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.551 ' HG3' HD13 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -90.4 -4.99 56.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.105 179.393 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.29 -24.45 46.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.247 -179.197 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.757 ' CD2' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -111.69 11.84 21.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.09 179.794 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.553 ' HE3' HD21 ' A' ' 14' ' ' LEU . 51.2 t-105 -51.26 116.5 2.07 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.383 179.7 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 137.33 -28.21 2.8 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.631 -0.795 . . . . 0.0 113.069 179.598 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.436 ' O ' ' HG2' ' A' ' 30' ' ' MET . 3.7 t70 -72.88 87.04 1.29 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.75 0.309 . . . . 0.0 111.112 -179.584 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.53 ' CE1' HG11 ' A' ' 66' ' ' VAL . 12.5 t80 -45.46 -42.45 10.54 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.819 -179.864 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.3 -36.92 94.06 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.831 -0.699 . . . . 0.0 113.542 -179.159 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.426 ' HB2' ' HB3' ' A' ' 26' ' ' ASP . 0.2 OUTLIER -82.01 -38.55 24.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.858 0.329 . . . . 0.0 111.657 -179.244 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.781 ' HA ' HD13 ' A' ' 19' ' ' LEU . 12.0 ptp -69.26 -46.4 67.37 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 121.049 -0.26 . . . . 0.0 110.952 -179.866 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.401 ' N ' ' HG3' ' A' ' 30' ' ' MET . 50.4 tt0 -62.75 -38.7 91.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.355 . . . . 0.0 110.161 179.593 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -60.18 -39.65 87.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.936 179.264 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.443 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -73.09 -40.48 64.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.451 179.304 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.478 ' CE2' ' CB ' ' A' ' 59' ' ' TRP . 15.4 t80 -53.08 -53.47 49.78 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.88 179.692 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.467 ' HE2' ' HD1' ' A' ' 34' ' ' TYR . 6.8 mmpt? -67.07 -27.78 67.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.931 179.762 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.91 -36.19 67.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.717 179.849 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.445 ' OE1' HD21 ' A' ' 40' ' ' LEU . 1.6 mm100 -88.8 -22.94 22.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.975 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.8 m -66.95 -29.59 69.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.687 179.721 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 17.1 mt -70.9 -47.21 60.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.344 -179.73 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.445 HD21 ' OE1' ' A' ' 37' ' ' GLN . 3.1 pp -71.48 -15.68 62.33 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.987 -179.738 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.54 HD22 ' HB3' ' A' ' 51' ' ' LEU . 16.7 mt -95.62 -9.11 33.02 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 120.73 0.3 . . . . 0.0 110.447 178.488 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.507 ' ND1' ' HD2' ' A' ' 43' ' ' PRO . 7.6 t60 -60.74 142.62 91.77 Favored Pre-proline 0 CA--C 1.531 0.231 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.46 179.702 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.507 ' HD2' ' ND1' ' A' ' 42' ' ' HIS . 35.3 Cg_endo -66.65 -10.49 28.23 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.438 2.092 . . . . 0.0 113.273 -179.392 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.94 -20.91 32.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.714 0.292 . . . . 0.0 110.894 179.695 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -107.35 27.98 8.55 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.875 0.369 . . . . 0.0 110.713 179.702 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.19 22.86 72.73 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.541 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -91.24 155.64 23.67 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.535 179.876 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.575 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -82.27 152.13 26.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.769 0.319 . . . . 0.0 110.855 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -78.79 -51.92 9.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.782 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.404 ' HA ' ' HG2' ' A' ' 53' ' ' GLN . . . -49.66 -30.25 8.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.772 -179.817 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.575 HD13 ' HB2' ' A' ' 48' ' ' SER . 0.4 OUTLIER -74.16 -52.19 13.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.322 -179.545 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -35.75 74.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.512 -179.412 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.404 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 8.1 pt20 -76.66 -28.44 56.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.117 -179.733 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.58 -46.11 70.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.843 0.354 . . . . 0.0 110.77 179.826 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.642 HD11 ' CD2' ' A' ' 17' ' ' LEU . 5.3 tp -70.96 -33.94 70.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.745 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.86 -31.99 70.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.66 179.757 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.04 -42.25 32.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.505 HD22 ' O ' ' A' ' 9' ' ' ASP . 3.2 mt -68.78 -29.03 67.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.884 179.925 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.573 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 69.8 t-105 -90.05 -20.61 23.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.072 179.558 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.427 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -74.43 -62.06 3.0 Favored Glycine 0 C--N 1.336 0.565 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.09 179.341 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.555 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -55.02 -50.17 69.7 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 179.112 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.555 ' N ' ' CG2' ' A' ' 61' ' ' THR . 3.1 t80 -44.71 -51.41 9.3 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 113.366 -1.743 . . . . 0.0 109.43 178.051 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.573 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 1.1 ttmt -55.47 -35.68 65.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.281 -1.327 . . . . 0.0 111.045 179.482 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.3 m -47.77 -39.64 18.56 Favored 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.268 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -85.24 -30.39 23.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.686 178.508 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.566 ' HB ' ' HA ' ' A' ' 63' ' ' LYS . 76.5 t . . . . . 0 N--CA 1.455 -0.196 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.146 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.819 HD12 ' HB3' ' A' ' 9' ' ' ASP . 1.6 pt? . . . . . 0 CA--C 1.528 0.101 0 CA-C-O 120.734 0.302 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.7 p -90.11 -178.17 5.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.029 0.442 . . . . 0.0 111.875 -178.544 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.43 ' HA ' ' CG ' ' A' ' 10' ' ' LYS . 31.3 ttm180 -53.99 -33.13 56.19 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.606 179.702 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.36 -45.3 80.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.131 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.819 ' HB3' HD12 ' A' ' 5' ' ' LEU . 9.1 m-20 -68.15 -55.43 12.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.259 -179.84 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.43 ' CG ' ' HA ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -55.26 -38.67 68.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.942 0.401 . . . . 0.0 110.544 -179.787 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -72.65 -30.34 64.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.188 179.124 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.79 -31.22 56.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.082 179.432 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.504 HD21 ' CE2' ' A' ' 62' ' ' PHE . 2.9 tp -65.01 -35.12 80.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.077 179.252 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.763 HD22 ' O ' ' A' ' 19' ' ' LEU . 13.6 mt -66.98 -49.41 65.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.98 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -59.85 -21.97 61.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.156 -179.923 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 37.6 mt -89.95 -34.11 16.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.747 0.308 . . . . 0.0 111.312 -179.866 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.673 ' CD1' HD11 ' A' ' 55' ' ' LEU . 9.1 mp -84.51 0.67 48.94 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -179.784 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.96 18.05 1.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.205 0.526 . . . . 0.0 110.577 -179.277 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.763 ' O ' HD22 ' A' ' 14' ' ' LEU . 2.2 tt -99.9 110.71 60.16 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.255 -179.661 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.501 ' CB ' HD21 ' A' ' 23' ' ' LEU . 42.1 Cg_exo -50.81 -179.81 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.779 2.319 . . . . 0.0 112.964 -178.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.98 -25.25 24.38 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.517 -179.827 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.47 -10.39 11.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.897 -179.787 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.765 HD23 ' N ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -126.17 14.91 7.85 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.746 0.308 . . . . 0.0 110.85 179.708 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.712 ' HE3' HD21 ' A' ' 14' ' ' LEU . 59.3 t-105 -51.62 93.07 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.652 179.57 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.22 -19.4 4.33 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.092 -179.343 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -61.27 82.67 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.763 0.315 . . . . 0.0 110.712 179.737 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.6 ' CE1' HG11 ' A' ' 66' ' ' VAL . 5.3 t80 -45.39 -32.37 2.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.411 -179.747 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.16 -35.22 64.2 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.93 -179.789 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.526 ' HB3' HD12 ' A' ' 19' ' ' LEU . 26.4 mmt180 -85.44 -48.85 8.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.737 0.303 . . . . 0.0 111.406 -179.642 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.542 ' CA ' HD13 ' A' ' 19' ' ' LEU . 8.7 ptp -59.62 -47.7 84.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.94 -179.845 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -64.47 -45.01 89.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.831 0.348 . . . . 0.0 110.529 179.681 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -61.52 -37.39 83.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.264 179.501 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.39 -34.76 47.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.533 179.61 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.431 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 10.2 t80 -58.06 -45.14 87.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.265 179.591 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.8 -34.98 74.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.413 179.663 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -70.5 -34.84 72.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.475 179.619 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.744 ' O ' HD12 ' A' ' 41' ' ' LEU . 99.3 mm-40 -83.6 -19.94 34.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.735 179.672 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.6 m -73.54 -34.6 65.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.68 179.673 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.7 mt -65.1 -40.93 95.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.826 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.7 pp -80.59 -12.65 59.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 179.794 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.744 HD12 ' O ' ' A' ' 37' ' ' GLN . 8.6 mt -95.5 -2.67 48.17 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.269 179.543 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.486 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 6.4 t-80 -75.84 141.52 71.94 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.623 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.486 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 26.2 Cg_endo -63.06 -9.67 17.87 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.809 2.339 . . . . 0.0 113.434 -179.327 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.6 -24.33 27.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.643 0.258 . . . . 0.0 111.217 179.906 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.27 24.01 9.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.801 0.334 . . . . 0.0 111.158 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.84 -10.83 61.42 Favored Glycine 0 CA--C 1.52 0.37 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.883 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.36 164.67 29.02 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.583 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.481 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -90.2 154.85 19.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.917 0.389 . . . . 0.0 110.934 -179.948 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.436 ' CE1' ' HG3' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -83.28 -38.08 22.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.885 -179.98 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.66 -23.0 66.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.457 -179.787 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.481 HD13 ' HB2' ' A' ' 48' ' ' SER . 2.4 mp -82.27 -51.67 7.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.111 -179.755 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 10.8 tpt -55.21 -45.12 75.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.234 -179.789 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.84 -28.0 68.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.16 -45.74 38.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.673 HD11 ' CD1' ' A' ' 17' ' ' LEU . 15.0 tp -54.11 -56.18 20.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.231 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -55.55 -39.41 70.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.825 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.08 -33.9 75.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.656 179.777 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.569 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 14.2 mt -83.22 -22.24 33.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.814 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.535 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 66.6 t-105 -89.04 -18.56 27.08 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 179.425 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.448 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -77.43 -60.86 2.73 Favored Glycine 0 C--N 1.337 0.604 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.702 179.037 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.645 HG23 HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -54.74 -50.99 67.04 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 178.878 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.56 ' N ' ' CG2' ' A' ' 61' ' ' THR . 1.2 t80 -43.78 -50.99 7.59 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 113.42 -1.718 . . . . 0.0 109.534 178.084 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.576 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 2.9 ttmt -55.96 -39.9 72.44 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.199 -1.364 . . . . 0.0 111.098 179.783 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.7 m -46.91 -38.49 10.58 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.275 0.56 . . . . 0.0 109.533 179.177 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -85.5 -31.61 22.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.7 178.547 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.6 HG11 ' CE1' ' A' ' 27' ' ' PHE . 50.3 t . . . . . 0 C--O 1.231 0.083 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.832 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.4 pt? . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.854 0.359 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.7 p -89.09 -171.57 3.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.234 -179.365 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.85 -38.07 81.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.389 179.712 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.99 -45.69 92.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.201 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.832 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 3.5 m-20 -60.16 -58.79 7.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.961 -179.944 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.558 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -58.6 -39.31 80.06 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.862 0.363 . . . . 0.0 110.442 -179.922 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.502 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 3.9 mm-40 -67.22 -36.43 81.66 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.418 179.603 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -76.41 -34.79 58.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.003 179.436 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.599 HD13 ' HB3' ' A' ' 58' ' ' LEU . 2.5 tp -60.78 -39.22 88.01 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.678 179.051 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.715 HD21 ' HE3' ' A' ' 24' ' ' TRP . 26.8 mt -64.14 -45.25 89.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.666 179.701 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -57.02 -25.63 58.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.45 ' HB3' HD13 ' A' ' 55' ' ' LEU . 4.5 mt -90.06 -30.68 17.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.721 179.801 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.835 ' CD1' HD11 ' A' ' 55' ' ' LEU . 8.6 mp -85.4 1.34 49.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.995 179.575 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.95 20.52 1.69 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.362 0.601 . . . . 0.0 109.748 -178.656 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.811 HD13 ' HA ' ' A' ' 30' ' ' MET . 4.4 tt -107.77 108.98 62.12 Favored Pre-proline 0 N--CA 1.449 -0.504 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.204 -179.003 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.416 ' O ' HD13 ' A' ' 23' ' ' LEU . 53.5 Cg_exo -51.66 170.91 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.632 2.221 . . . . 0.0 113.009 -179.032 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.74 -7.07 55.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.07 179.236 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.8 tm0? -73.34 -32.24 64.44 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 -179.365 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.707 HD21 ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -104.06 13.12 33.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.077 179.836 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.715 ' HE3' HD21 ' A' ' 14' ' ' LEU . 62.8 t-105 -54.47 100.52 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.082 179.422 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.28 -26.22 0.88 Allowed Glycine 0 CA--C 1.52 0.386 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.903 179.827 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.409 ' O ' ' HG2' ' A' ' 30' ' ' MET . 17.4 t70 -79.81 95.39 6.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.689 0.281 . . . . 0.0 111.026 -179.762 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.786 ' CE1' HG11 ' A' ' 66' ' ' VAL . 42.6 t80 -52.14 -34.36 44.24 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.734 -179.6 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.01 -29.15 72.45 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.701 -0.761 . . . . 0.0 113.101 -179.33 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.401 ' HG3' HD12 ' A' ' 19' ' ' LEU . 3.9 tpt180 -87.11 -28.22 22.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.78 0.29 . . . . 0.0 111.75 -179.415 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.811 ' HA ' HD13 ' A' ' 19' ' ' LEU . 14.9 ptp -79.15 -42.47 26.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.682 -0.236 . . . . 0.0 110.885 179.867 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -68.9 -41.63 77.96 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 179.492 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -62.53 -42.24 99.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.053 0.454 . . . . 0.0 109.921 179.045 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.34 -37.02 63.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.564 179.553 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.459 ' CE2' ' CB ' ' A' ' 59' ' ' TRP . 12.5 t80 -60.69 -53.13 61.15 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.49 179.627 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.8 -36.53 81.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.36 179.64 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.38 -27.36 67.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.634 179.693 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.718 ' HA ' HD23 ' A' ' 40' ' ' LEU . 86.2 mm-40 -88.81 -22.7 23.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.682 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.2 m -71.21 -24.72 62.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.494 179.313 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.522 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 3.3 mt -74.28 -22.52 59.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.563 -179.706 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.718 HD23 ' HA ' ' A' ' 37' ' ' GLN . 1.4 pp -89.54 -24.36 21.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.713 0.292 . . . . 0.0 110.96 -179.842 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.493 HD22 ' HB3' ' A' ' 51' ' ' LEU . 4.5 mt -95.09 12.87 27.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.12 179.549 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.492 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 34.9 t-80 -82.96 132.16 51.84 Favored Pre-proline 0 CA--C 1.53 0.203 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.765 179.94 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.492 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 78.0 Cg_exo -41.91 -30.7 1.24 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.238 2.625 . . . . 0.0 114.422 -179.097 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.18 -18.31 50.02 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.123 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.522 ' HG3' ' O ' ' A' ' 39' ' ' LEU . 11.8 mmtm -109.49 31.17 5.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.974 0.416 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 60.43 73.93 0.43 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.452 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -138.71 154.0 22.91 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.581 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.23 149.89 22.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.772 0.32 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -75.44 -43.64 48.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.711 179.821 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.47 -23.93 18.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.252 179.853 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.493 ' HB3' HD22 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -86.71 -49.17 7.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.979 -179.99 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -42.43 81.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.207 -179.851 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -30.67 64.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.129 -179.925 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -69.64 -47.35 63.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.667 179.779 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.835 HD11 ' CD1' ' A' ' 17' ' ' LEU . 58.4 tp -62.98 -41.76 99.65 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.738 179.9 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -63.22 -41.34 99.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.674 179.698 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.0 p -65.52 -28.2 69.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.563 179.677 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.615 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 10.3 mt -83.02 -26.33 31.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.557 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 69.7 t-105 -89.0 -15.97 32.84 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 110.027 -0.361 . . . . 0.0 110.027 179.428 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -79.07 -62.4 2.22 Favored Glycine 0 C--N 1.335 0.511 0 C-N-CA 121.017 -0.611 . . . . 0.0 111.829 179.086 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.677 HG23 HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -54.63 -50.29 68.47 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 178.991 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.511 ' N ' ' CG2' ' A' ' 61' ' ' THR . 1.7 t80 -44.59 -49.32 10.23 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 113.584 -1.644 . . . . 0.0 109.644 178.15 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.557 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 2.2 ttmt -60.24 -37.23 79.71 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.171 -1.377 . . . . 0.0 111.218 179.809 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 43.1 m -46.05 -38.42 7.9 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-O 121.416 0.627 . . . . 0.0 109.492 179.28 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -85.56 -32.5 22.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.762 178.584 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.786 HG11 ' CE1' ' A' ' 27' ' ' PHE . 70.8 t . . . . . 0 N--CA 1.457 -0.119 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.935 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.756 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.6 pt? . . . . . 0 N--CA 1.461 0.106 0 CA-C-O 121.011 0.434 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.404 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 55.8 p -90.39 -178.99 5.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.459 -179.21 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.439 ' HG2' ' N ' ' A' ' 8' ' ' ALA . 0.1 OUTLIER -55.47 -30.95 61.52 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.889 179.525 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.439 ' N ' ' HG2' ' A' ' 7' ' ' ARG . . . -67.99 -43.58 78.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.126 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.756 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 2.0 m-20 -66.49 -57.85 6.47 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.24 -179.815 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.491 ' CD ' ' HG2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -54.13 -45.0 71.82 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.155 -179.223 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.491 ' HG2' ' CD ' ' A' ' 10' ' ' LYS . 3.8 mm-40 -67.86 -28.2 67.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.914 0.387 . . . . 0.0 110.148 179.075 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.0 ttt-85 -77.77 -42.32 34.42 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.415 179.596 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.459 ' O ' HD23 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -59.19 -30.38 68.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.11 179.222 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.704 HD22 ' O ' ' A' ' 19' ' ' LEU . 13.6 mt -66.9 -37.85 85.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.641 179.503 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -59.72 -42.44 93.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.433 179.835 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 mp -78.61 -16.93 56.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.87 179.59 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.502 ' CD2' HD11 ' A' ' 55' ' ' LEU . 0.8 OUTLIER -89.99 -6.58 55.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.666 -179.964 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 51.89 21.65 1.52 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.453 0.644 . . . . 0.0 109.863 -178.83 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.754 HD13 ' HA ' ' A' ' 30' ' ' MET . 4.6 tt -112.58 113.12 50.83 Favored Pre-proline 0 N--CA 1.45 -0.455 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.375 -179.09 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.422 ' O ' HD13 ' A' ' 23' ' ' LEU . 78.4 Cg_exo -47.07 166.08 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.761 2.307 . . . . 0.0 113.458 -178.567 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.417 ' HG2' HD12 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -90.17 -3.86 57.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.097 179.705 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -77.64 -34.01 53.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.055 0.455 . . . . 0.0 110.997 -179.252 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.67 HD22 ' C ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -101.16 11.6 39.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.478 -179.817 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.655 ' HE3' HD21 ' A' ' 14' ' ' LEU . 41.9 t-105 -52.13 101.99 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.326 179.713 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.23 -25.06 0.69 Allowed Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.614 -0.803 . . . . 0.0 113.118 179.745 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.479 ' HB3' ' HB2' ' A' ' 29' ' ' ARG . 6.0 t70 -78.4 86.21 4.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.694 0.247 . . . . 0.0 111.295 -179.595 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.828 ' CD1' HG11 ' A' ' 66' ' ' VAL . 13.2 t80 -44.28 -44.76 8.25 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.635 -179.908 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.93 -35.71 87.82 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.749 -179.793 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.479 ' HB2' ' HB3' ' A' ' 26' ' ' ASP . 10.0 ttt-85 -75.57 -54.08 7.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.751 0.31 . . . . 0.0 111.182 -179.625 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.754 ' HA ' HD13 ' A' ' 19' ' ' LEU . 13.0 ptp -58.22 -45.93 86.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.241 -179.713 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -58.68 -37.55 76.28 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.901 0.381 . . . . 0.0 110.302 179.63 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.61 -40.94 98.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.211 179.346 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.478 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -72.94 -38.04 66.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.459 179.5 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.443 ' CE2' ' CB ' ' A' ' 59' ' ' TRP . 10.8 t80 -54.85 -42.39 71.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.389 179.636 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -71.66 -29.91 65.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.793 179.815 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -66.12 -44.55 83.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.99 -179.712 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.434 ' HA ' HD21 ' A' ' 40' ' ' LEU . 2.9 mm-40 -84.92 -21.55 29.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.107 -179.948 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.9 -30.61 70.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.899 179.801 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 mt -73.79 -31.71 63.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.054 -179.785 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.499 HD12 ' HG ' ' A' ' 41' ' ' LEU . 1.7 pp -89.32 -12.89 39.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.612 -179.732 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.575 HD22 ' HB3' ' A' ' 51' ' ' LEU . 20.7 mt -94.88 -11.01 29.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.775 0.321 . . . . 0.0 110.814 179.577 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.578 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 3.2 t-80 -66.05 132.77 94.65 Favored Pre-proline 0 C--N 1.332 -0.173 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.508 179.594 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.578 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 19.6 Cg_endo -58.3 -12.42 13.29 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.629 2.22 . . . . 0.0 113.164 -179.59 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.46 -21.71 35.49 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.656 0.265 . . . . 0.0 111.295 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -109.98 28.88 8.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.85 0.357 . . . . 0.0 111.103 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.98 -11.03 63.59 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 0.0 113.039 179.69 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.94 163.37 29.64 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.631 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.508 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.9 OUTLIER -90.32 154.67 19.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.746 0.308 . . . . 0.0 110.643 179.94 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -80.2 -41.82 24.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.853 179.941 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.52 -27.94 68.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.492 -179.791 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.575 ' HB3' HD22 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -78.71 -51.11 10.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.013 -179.878 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.8 tpt -57.74 -43.46 85.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.086 -179.899 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -67.0 -33.19 75.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.761 -179.936 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -60.24 -51.25 70.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 -179.925 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.502 HD11 ' CD2' ' A' ' 17' ' ' LEU . 4.7 tp -64.03 -35.99 82.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.941 -179.906 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -61.76 -30.56 70.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.953 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.33 -34.51 25.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.236 -179.872 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.605 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 8.0 mt -77.23 -22.8 51.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.333 -179.659 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.59 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 63.5 t-105 -90.5 -21.48 21.81 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.831 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.505 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -76.66 -61.47 2.73 Favored Glycine 0 C--N 1.336 0.573 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 178.907 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.725 HG23 HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -52.58 -49.85 64.17 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 178.628 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.534 ' HB2' ' O ' ' A' ' 58' ' ' LEU . 4.1 t80 -45.34 -50.67 11.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 113.404 -1.725 . . . . 0.0 109.444 178.016 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.59 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 1.4 ttmt -56.78 -34.67 67.85 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.143 -1.389 . . . . 0.0 111.097 179.414 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.459 ' HB ' ' O ' ' A' ' 61' ' ' THR . 66.8 m -49.58 -36.2 23.21 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.887 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -85.73 -30.66 22.93 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.421 178.319 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.828 HG11 ' CD1' ' A' ' 27' ' ' PHE . 87.0 t . . . . . 0 N--CA 1.453 -0.299 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.028 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.824 ' HB3' HG21 ' A' ' 61' ' ' THR . 1.3 pt? . . . . . 0 C--O 1.23 0.076 0 CA-C-O 121.01 0.433 . . . . 0.0 110.618 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.2 p -76.08 -178.22 4.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.165 -179.174 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.28 -37.46 69.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.815 179.822 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.45 -44.03 88.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.416 -179.792 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.766 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 8.7 m-20 -63.46 -58.18 7.85 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.24 -179.676 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -58.28 -32.83 68.78 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.863 0.363 . . . . 0.0 110.655 -179.825 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.414 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.8 OUTLIER -71.67 -33.37 68.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.988 179.098 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.9 -31.4 69.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.274 179.46 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.774 ' O ' HD23 ' A' ' 17' ' ' LEU . 5.5 tp -65.75 -37.28 85.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.956 179.229 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.869 HD22 ' O ' ' A' ' 19' ' ' LEU . 11.5 mt -66.85 -39.58 87.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.117 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -54.26 -52.98 59.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.817 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.779 HD21 HD23 ' A' ' 51' ' ' LEU . 3.4 mt -73.84 -12.14 60.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.044 179.745 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.774 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.3 mm? -90.2 -12.91 36.69 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -179.581 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 54.07 20.87 2.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.471 0.653 . . . . 0.0 109.915 -178.542 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.869 ' O ' HD22 ' A' ' 14' ' ' LEU . 2.4 tt -106.95 112.87 63.12 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.17 -178.971 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.435 ' HB2' HD12 ' A' ' 23' ' ' LEU . 71.9 Cg_exo -48.33 168.52 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.701 2.267 . . . . 0.0 113.522 -178.816 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.498 ' HG3' ' CD1' ' A' ' 14' ' ' LEU . 1.5 ttp180 -88.49 -2.8 58.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.577 179.856 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.49 -28.08 25.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.927 0.394 . . . . 0.0 111.595 -178.558 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.781 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -108.98 16.37 22.67 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.039 179.964 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.598 ' HE3' HD21 ' A' ' 14' ' ' LEU . 65.9 t-105 -51.29 -20.38 1.64 Allowed 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.569 179.37 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.31 -11.39 80.66 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 113.041 179.94 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -83.5 121.18 26.86 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.764 0.316 . . . . 0.0 111.022 -179.921 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -78.42 -45.23 22.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.304 -179.83 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.478 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -59.69 -31.77 72.25 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.921 -179.572 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.783 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -77.55 -48.05 17.95 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -179.363 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.852 ' HA ' HD13 ' A' ' 19' ' ' LEU . 7.5 ptp -56.36 -53.47 57.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.452 -179.406 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -61.08 -34.68 75.31 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.743 0.306 . . . . 0.0 110.757 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.478 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -59.21 -45.01 92.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.658 179.697 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.604 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -71.95 -36.68 69.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.807 179.792 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.475 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 8.0 t80 -54.54 -42.93 71.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.579 179.729 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -80.35 -33.44 37.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.74 179.777 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.9 tm0? -66.7 -36.22 81.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.872 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 62.5 mm-40 -87.22 -20.93 26.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.219 -179.89 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 85.2 p -67.44 -28.09 67.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.915 0.388 . . . . 0.0 110.613 179.416 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 17.2 mt -73.19 -33.9 65.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.189 -179.867 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.728 HD12 ' HG ' ' A' ' 41' ' ' LEU . 2.9 pp -84.97 -15.68 43.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.761 0.315 . . . . 0.0 110.955 179.68 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.728 ' HG ' HD12 ' A' ' 40' ' ' LEU . 12.7 mt -95.49 -14.29 23.81 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 120.927 0.394 . . . . 0.0 110.534 178.673 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.608 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 4.3 t-80 -61.22 147.16 87.41 Favored Pre-proline 0 CA--C 1.531 0.223 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.675 179.899 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.608 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 39.0 Cg_endo -67.95 -9.1 24.59 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.617 2.211 . . . . 0.0 113.357 -179.366 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.74 -23.75 21.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.676 0.274 . . . . 0.0 110.915 179.835 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.55 ' HD3' ' HB3' ' A' ' 42' ' ' HIS . 0.1 OUTLIER -101.83 30.93 4.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.818 0.342 . . . . 0.0 110.842 179.931 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.29 23.76 68.49 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.757 179.868 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -91.69 169.45 32.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.351 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.436 ' HB2' HD13 ' A' ' 51' ' ' LEU . 3.2 m -90.38 145.28 25.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 110.791 179.883 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.421 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 12.7 p80 -80.51 -40.87 25.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.037 -179.796 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.1 -37.63 67.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.477 -179.85 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.779 HD23 HD21 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -66.97 -51.56 53.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.232 -179.782 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -31.72 39.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.226 -179.619 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 15.7 mm-40 -74.83 -38.22 62.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.972 0.415 . . . . 0.0 110.698 179.841 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -36.81 85.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.822 179.919 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.512 HD11 HD21 ' A' ' 17' ' ' LEU . 11.2 tp -67.49 -46.67 72.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -59.54 -24.42 63.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.167 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.8 t -78.46 -39.13 39.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.515 -179.627 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.641 HD22 HD12 ' A' ' 5' ' ' LEU . 81.0 mt -78.18 -28.39 48.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.294 -179.607 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.553 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 73.1 t-105 -83.45 -25.4 31.24 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.538 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.84 -61.65 3.96 Favored Glycine 0 C--N 1.334 0.448 0 C-N-CA 120.957 -0.639 . . . . 0.0 111.894 179.066 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.824 HG21 ' HB3' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -51.96 -49.54 62.99 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 178.58 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.525 ' N ' ' CG2' ' A' ' 61' ' ' THR . 1.2 t80 -46.97 -51.32 17.33 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 113.089 -1.869 . . . . 0.0 109.411 177.728 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.581 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 0.3 OUTLIER -60.18 -32.89 71.5 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 114.247 -1.342 . . . . 0.0 111.061 179.818 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.432 ' HB ' ' O ' ' A' ' 61' ' ' THR . 38.9 m -49.13 -37.36 21.7 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.056 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -85.6 -30.96 22.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.648 178.075 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.581 ' HB ' ' HA ' ' A' ' 63' ' ' LYS . 96.7 t . . . . . 0 N--CA 1.455 -0.199 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.929 179.868 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.824 ' HB3' HG21 ' A' ' 61' ' ' THR . 1.3 pt? . . . . . 0 C--O 1.23 0.076 0 CA-C-O 121.01 0.433 . . . . 0.0 110.618 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.2 p -76.08 -178.22 4.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.165 -179.174 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.28 -37.46 69.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.815 179.822 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.45 -44.03 88.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.416 -179.792 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.766 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 8.7 m-20 -63.46 -58.18 7.85 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.24 -179.676 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -58.28 -32.83 68.78 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.863 0.363 . . . . 0.0 110.655 -179.825 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.414 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.8 OUTLIER -71.67 -33.37 68.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.988 179.098 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.9 -31.4 69.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.274 179.46 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.774 ' O ' HD23 ' A' ' 17' ' ' LEU . 5.5 tp -65.75 -37.28 85.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.956 179.229 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.869 HD22 ' O ' ' A' ' 19' ' ' LEU . 11.5 mt -66.85 -39.58 87.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.117 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -54.26 -52.98 59.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.817 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.779 HD21 HD23 ' A' ' 51' ' ' LEU . 3.4 mt -73.84 -12.14 60.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.044 179.745 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.774 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.3 mm? -90.2 -12.91 36.69 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -179.581 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 54.07 20.87 2.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.471 0.653 . . . . 0.0 109.915 -178.542 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.869 ' O ' HD22 ' A' ' 14' ' ' LEU . 2.4 tt -106.95 112.87 63.12 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.17 -178.971 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.435 ' HB2' HD12 ' A' ' 23' ' ' LEU . 71.9 Cg_exo -48.33 168.52 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.701 2.267 . . . . 0.0 113.522 -178.816 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.498 ' HG3' ' CD1' ' A' ' 14' ' ' LEU . 1.5 ttp180 -88.49 -2.8 58.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.577 179.856 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.49 -28.08 25.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.927 0.394 . . . . 0.0 111.595 -178.558 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.781 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -108.98 16.37 22.67 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.039 179.964 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.598 ' HE3' HD21 ' A' ' 14' ' ' LEU . 65.9 t-105 -51.29 -20.38 1.64 Allowed 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.569 179.37 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.31 -11.39 80.66 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 113.041 179.94 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -83.5 121.18 26.86 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.764 0.316 . . . . 0.0 111.022 -179.921 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -78.42 -45.23 22.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.304 -179.83 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.478 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -59.69 -31.77 72.25 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.921 -179.572 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.783 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -77.55 -48.05 17.95 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -179.363 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.852 ' HA ' HD13 ' A' ' 19' ' ' LEU . 7.5 ptp -56.36 -53.47 57.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.452 -179.406 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -61.08 -34.68 75.31 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.743 0.306 . . . . 0.0 110.757 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.478 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -59.21 -45.01 92.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.658 179.697 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.604 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -71.95 -36.68 69.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.807 179.792 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.475 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 8.0 t80 -54.54 -42.93 71.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.579 179.729 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -80.35 -33.44 37.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.74 179.777 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.9 tm0? -66.7 -36.22 81.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.872 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 62.5 mm-40 -87.22 -20.93 26.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.219 -179.89 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 85.2 p -67.44 -28.09 67.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.915 0.388 . . . . 0.0 110.613 179.416 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 17.2 mt -73.19 -33.9 65.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.189 -179.867 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.728 HD12 ' HG ' ' A' ' 41' ' ' LEU . 2.9 pp -84.97 -15.68 43.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.761 0.315 . . . . 0.0 110.955 179.68 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.728 ' HG ' HD12 ' A' ' 40' ' ' LEU . 12.7 mt -95.49 -14.29 23.81 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 120.927 0.394 . . . . 0.0 110.534 178.673 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.608 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 4.3 t-80 -61.22 147.16 87.41 Favored Pre-proline 0 CA--C 1.531 0.223 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.675 179.899 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.608 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 39.0 Cg_endo -67.95 -9.1 24.59 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.617 2.211 . . . . 0.0 113.357 -179.366 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.74 -23.75 21.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.676 0.274 . . . . 0.0 110.915 179.835 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.55 ' HD3' ' HB3' ' A' ' 42' ' ' HIS . 0.1 OUTLIER -101.83 30.93 4.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.818 0.342 . . . . 0.0 110.842 179.931 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.29 23.76 68.49 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.757 179.868 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -91.69 169.45 32.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.351 179.912 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.436 ' HB2' HD13 ' A' ' 51' ' ' LEU . 3.2 m -90.38 145.28 25.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 110.791 179.883 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.421 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 12.7 p80 -80.51 -40.87 25.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.037 -179.796 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.1 -37.63 67.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.477 -179.85 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.779 HD23 HD21 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -66.97 -51.56 53.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.232 -179.782 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -31.72 39.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.226 -179.619 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 15.7 mm-40 -74.83 -38.22 62.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.972 0.415 . . . . 0.0 110.698 179.841 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -36.81 85.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.822 179.919 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.512 HD11 HD21 ' A' ' 17' ' ' LEU . 11.2 tp -67.49 -46.67 72.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -59.54 -24.42 63.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.167 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.8 t -78.46 -39.13 39.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.515 -179.627 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.641 HD22 HD12 ' A' ' 5' ' ' LEU . 81.0 mt -78.18 -28.39 48.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.294 -179.607 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.553 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 73.1 t-105 -83.45 -25.4 31.24 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.538 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.84 -61.65 3.96 Favored Glycine 0 C--N 1.334 0.448 0 C-N-CA 120.957 -0.639 . . . . 0.0 111.894 179.066 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.824 HG21 ' HB3' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -51.96 -49.54 62.99 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 178.58 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.525 ' N ' ' CG2' ' A' ' 61' ' ' THR . 1.2 t80 -46.97 -51.32 17.33 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 113.089 -1.869 . . . . 0.0 109.411 177.728 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.581 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 0.3 OUTLIER -60.18 -32.89 71.5 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 114.247 -1.342 . . . . 0.0 111.061 179.818 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.432 ' HB ' ' O ' ' A' ' 61' ' ' THR . 38.9 m -49.13 -37.36 21.7 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.056 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -85.6 -30.96 22.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.648 178.075 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.581 ' HB ' ' HA ' ' A' ' 63' ' ' LYS . 96.7 t . . . . . 0 N--CA 1.455 -0.199 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.929 179.868 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.826 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.5 pt? . . . . . 0 N--CA 1.461 0.12 0 CA-C-O 121.09 0.471 . . . . 0.0 111.232 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.1 p -90.05 -176.9 5.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.557 -179.17 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -33.42 64.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.794 179.844 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.78 -46.52 71.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.458 -179.731 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.826 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 37.5 m-20 -59.52 -59.77 4.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.23 -179.699 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.649 ' N ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -53.39 -37.7 62.7 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 121.119 0.485 . . . . 0.0 110.141 179.918 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.414 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 4.8 tt0 -70.91 -34.7 71.8 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.931 178.949 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.478 ' O ' HD12 ' A' ' 16' ' ' LEU . 1.0 OUTLIER -73.66 -40.25 63.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.608 179.651 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.502 ' O ' HD13 ' A' ' 17' ' ' LEU . 2.6 tp -58.66 -40.57 83.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.694 179.666 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.759 HD11 ' CE3' ' A' ' 24' ' ' TRP . 48.8 mt -67.23 -41.82 85.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.144 179.933 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -54.55 -29.17 50.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.942 0.401 . . . . 0.0 110.45 179.757 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.633 ' CD2' HD23 ' A' ' 51' ' ' LEU . 1.3 mt -90.11 -23.98 21.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.945 179.673 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.614 HD11 HD11 ' A' ' 55' ' ' LEU . 8.9 mp -89.96 -2.41 58.15 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 179.823 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.422 ' HD3' ' OE1' ' A' ' 37' ' ' GLN . 0.3 OUTLIER 52.83 20.52 1.63 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.411 0.624 . . . . 0.0 110.018 -178.477 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.877 HD13 ' HA ' ' A' ' 30' ' ' MET . 3.0 tt -106.99 108.57 62.23 Favored Pre-proline 0 N--CA 1.448 -0.55 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.843 -179.418 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -49.26 174.34 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 123.166 2.578 . . . . 0.0 114.207 -178.471 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.47 ' HG3' ' CD1' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -89.8 -15.07 33.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.643 179.067 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -66.67 -34.54 78.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.59 -178.709 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.85 HD21 HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -103.14 8.37 38.64 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.205 -179.952 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.759 ' CE3' HD11 ' A' ' 14' ' ' LEU . 54.5 t-105 -53.88 90.31 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.241 179.438 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 169.09 -32.1 0.17 Allowed Glycine 0 CA--C 1.518 0.25 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.83 179.892 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -80.34 91.44 5.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.84 0.352 . . . . 0.0 111.153 -179.679 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.793 ' CE1' HG11 ' A' ' 66' ' ' VAL . 42.9 t80 -50.44 -39.55 47.89 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.458 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.64 -29.56 72.31 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.81 -179.782 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -83.14 -49.54 9.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.653 0.263 . . . . 0.0 111.212 -179.685 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.877 ' HA ' HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -66.22 -39.03 89.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.265 -179.986 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -65.08 -44.51 88.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.802 0.334 . . . . 0.0 110.633 179.714 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -62.06 -39.72 93.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.351 179.494 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.93 -28.77 63.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.656 179.562 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -60.48 -45.9 92.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.638 179.671 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -71.84 -27.97 63.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.97 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -72.53 -39.31 67.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.795 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.512 ' HA ' HD21 ' A' ' 40' ' ' LEU . 6.6 mm100 -75.03 -19.74 59.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.933 179.677 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.1 m -71.26 -30.01 65.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.784 179.856 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.9 mt -71.77 -31.95 67.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.32 -179.77 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.512 HD21 ' HA ' ' A' ' 37' ' ' GLN . 1.5 pp -89.05 -17.1 30.02 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.409 -179.668 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.9 mt -95.28 9.45 39.77 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.755 0.312 . . . . 0.0 110.844 178.926 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 -88.76 132.09 39.57 Favored Pre-proline 0 CA--C 1.53 0.189 0 CA-C-O 120.915 0.388 . . . . 0.0 111.043 -179.739 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_exo -43.59 -31.38 3.19 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 123.17 2.58 . . . . 0.0 113.919 -179.474 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.95 -19.29 52.09 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -179.287 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -114.87 31.06 6.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.879 0.371 . . . . 0.0 110.66 179.692 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 62.98 102.24 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.421 -179.821 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -175.78 164.57 34.8 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.444 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.467 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -90.05 153.88 20.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.938 0.399 . . . . 0.0 110.934 -179.808 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -83.08 -37.49 23.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.846 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.424 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -62.29 -28.19 69.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.227 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.633 HD23 ' CD2' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -74.49 -48.64 26.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.039 0.447 . . . . 0.0 110.808 -179.982 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -37.33 72.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.466 -179.644 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -81.2 -39.28 25.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.267 -179.653 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 0.5 OUTLIER -65.99 -32.96 74.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.949 0.404 . . . . 0.0 110.361 179.615 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.614 HD11 HD11 ' A' ' 17' ' ' LEU . 10.1 tp -67.76 -47.03 70.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.693 179.9 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -58.21 -43.5 87.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 179.931 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.49 -31.53 72.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.598 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 9.8 mt -81.11 -27.34 35.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.046 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.523 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 68.7 t-105 -87.38 -27.13 22.97 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.761 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.438 ' HA2' ' NZ ' ' A' ' 63' ' ' LYS . . . -68.26 -64.05 3.3 Favored Glycine 0 C--N 1.333 0.405 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.015 179.105 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.695 HG23 HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -51.4 -49.65 61.18 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 178.821 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.502 ' N ' ' CG2' ' A' ' 61' ' ' THR . 2.2 t80 -46.44 -51.57 14.87 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 113.412 -1.722 . . . . 0.0 109.43 178.058 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.574 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 0.1 OUTLIER -58.41 -35.64 72.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.331 -1.304 . . . . 0.0 111.108 179.811 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.446 ' HB ' ' O ' ' A' ' 61' ' ' THR . 58.4 m -50.51 -37.05 36.92 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 178.803 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -85.15 -30.76 23.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.499 178.541 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.793 HG11 ' CE1' ' A' ' 27' ' ' PHE . 72.9 t . . . . . 0 N--CA 1.454 -0.264 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.291 -179.891 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.776 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.2 pt? . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.935 0.398 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.9 p -89.99 -174.63 4.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.491 -179.182 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 7' ' ' ARG . 1.5 mmt-85 -55.74 -37.28 68.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.803 179.844 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.03 -39.29 93.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.429 -179.855 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.776 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 1.7 m-20 -69.96 -57.09 5.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.164 -179.796 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.504 ' HD3' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -54.44 -39.99 67.93 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.826 0.346 . . . . 0.0 110.781 -179.627 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.504 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 16.8 tp10 -70.73 -34.54 71.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.025 179.246 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.7 ttt85 -70.14 -40.53 74.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.802 179.274 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.555 ' O ' HD23 ' A' ' 17' ' ' LEU . 1.6 tp -60.25 -31.42 70.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.863 179.018 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.861 HD22 ' O ' ' A' ' 19' ' ' LEU . 12.1 mt -69.42 -37.67 77.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.769 179.644 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -56.35 -46.23 80.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.751 179.865 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.506 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 1.1 mt -77.61 -15.07 59.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.98 179.696 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.675 ' O ' ' HB1' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -90.14 -10.0 46.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.904 -179.784 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.38 19.55 3.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.309 0.576 . . . . 0.0 109.758 -178.451 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.887 HD13 ' HA ' ' A' ' 30' ' ' MET . 3.5 tt -112.67 110.56 52.3 Favored Pre-proline 0 N--CA 1.451 -0.401 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.941 -179.074 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.42 ' O ' HD13 ' A' ' 23' ' ' LEU . 73.4 Cg_exo -48.21 169.15 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.768 2.312 . . . . 0.0 113.402 -178.833 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.32 -5.56 56.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.001 179.117 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -73.89 -35.63 64.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.115 0.483 . . . . 0.0 110.722 -179.393 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.724 HD21 ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -101.28 11.38 39.4 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.268 179.894 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.653 ' HE3' HD21 ' A' ' 14' ' ' LEU . 58.9 t-105 -53.36 98.32 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.321 179.576 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.72 -24.53 0.56 Allowed Glycine 0 C--N 1.33 0.241 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.794 179.822 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.431 ' HB3' ' HB2' ' A' ' 29' ' ' ARG . 27.4 t0 -80.37 91.57 5.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.694 0.283 . . . . 0.0 111.113 -179.781 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.502 ' CE1' HG11 ' A' ' 66' ' ' VAL . 40.0 t80 -47.09 -47.25 23.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.806 -179.729 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.94 -35.71 77.18 Favored Glycine 0 CA--C 1.517 0.187 0 C-N-CA 120.849 -0.691 . . . . 0.0 113.381 -179.306 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.431 ' HB2' ' HB3' ' A' ' 26' ' ' ASP . 0.2 OUTLIER -78.96 -45.61 20.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.796 0.298 . . . . 0.0 111.468 -179.42 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.887 ' HA ' HD13 ' A' ' 19' ' ' LEU . 13.9 ptp -61.42 -42.87 99.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.586 0.231 . . . . 0.0 110.971 -179.789 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -63.39 -39.36 94.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.94 0.4 . . . . 0.0 110.391 179.722 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -59.92 -33.89 72.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.171 179.484 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.675 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -81.33 -43.15 19.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.554 179.498 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.604 ' HB2' HD11 ' A' ' 17' ' ' LEU . 13.6 t80 -54.23 -40.97 68.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.981 179.83 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -73.75 -38.96 64.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.635 179.623 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -59.38 -37.61 78.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.203 179.595 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 12.9 mm100 -87.22 -19.56 28.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.138 179.667 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.4 m -72.98 -39.23 66.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.938 0.399 . . . . 0.0 110.676 179.662 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.426 ' O ' ' HD3' ' A' ' 45' ' ' LYS . 0.5 OUTLIER -68.16 -27.1 66.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.398 -179.716 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.519 HD12 ' HG ' ' A' ' 41' ' ' LEU . 4.3 pp -90.14 -15.93 30.58 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.971 -0.291 . . . . 0.0 111.207 179.638 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.738 ' CD2' HD13 ' A' ' 51' ' ' LEU . 7.5 mt -95.42 5.72 50.86 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.167 179.299 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.472 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 20.1 t-80 -85.95 139.52 34.92 Favored Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.618 -0.264 . . . . 0.0 110.396 179.619 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.467 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 87.9 Cg_exo -45.41 -41.54 17.82 Favored 'Trans proline' 0 CA--C 1.528 0.208 0 C-N-CA 122.798 2.332 . . . . 0.0 112.892 -179.797 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.0 -10.93 60.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.712 -179.479 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.472 ' HD3' ' HB3' ' A' ' 42' ' ' HIS . 0.2 OUTLIER -118.36 31.08 6.86 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.82 0.343 . . . . 0.0 111.092 -179.825 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.0 21.64 69.87 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.895 179.738 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -96.68 166.61 23.96 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.468 179.835 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.636 ' HB2' HD12 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -90.28 153.01 20.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.949 0.404 . . . . 0.0 111.012 -179.836 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.29 -49.27 11.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.675 179.757 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.7 -26.94 64.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.183 179.936 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.738 HD13 ' CD2' ' A' ' 41' ' ' LEU . 7.2 mt -71.24 -51.34 25.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.046 179.955 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.434 ' O ' ' HB2' ' A' ' 56' ' ' ASN . 3.0 tpt -51.54 -34.07 34.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.984 -179.93 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -80.38 -30.83 37.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.596 179.696 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -66.71 -54.23 25.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.887 179.879 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.518 HD11 ' CD2' ' A' ' 17' ' ' LEU . 9.3 tp -61.41 -42.47 98.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.74 180.0 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 52' ' ' MET . 1.2 t-20 -62.22 -35.44 78.9 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.86 0.362 . . . . 0.0 110.438 179.679 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.6 m -63.3 -40.52 97.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.512 179.66 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.614 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 3.7 mt -77.82 -29.21 50.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.612 179.556 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.657 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 70.8 t-105 -83.14 -10.2 58.78 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.077 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.467 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -85.58 -57.32 2.21 Favored Glycine 0 C--N 1.338 0.649 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 178.502 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.647 HG23 HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -58.54 -50.62 73.11 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 178.104 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.541 ' N ' ' CG2' ' A' ' 61' ' ' THR . 4.0 t80 -46.28 -48.39 18.08 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 113.55 -1.659 . . . . 0.0 109.174 177.87 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.657 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 3.5 ttmt -60.23 -36.89 78.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.264 -1.335 . . . . 0.0 111.252 179.649 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.7 m -47.17 -37.93 10.98 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.36 0.6 . . . . 0.0 109.4 179.566 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -85.47 -31.79 22.62 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.186 -0.916 . . . . 0.0 109.509 178.175 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.587 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 74.8 t . . . . . 0 N--CA 1.458 -0.061 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.852 179.637 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.838 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.1 pt? . . . . . 0 N--CA 1.461 0.122 0 CA-C-O 121.071 0.462 . . . . 0.0 111.478 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 p -90.55 -175.27 4.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.975 -179.922 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.411 ' O ' ' HD2' ' A' ' 10' ' ' LYS . 5.3 mtt180 -54.28 -42.35 69.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 179.723 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.14 -40.96 82.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.238 -179.882 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.838 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 1.1 m-20 -66.42 -58.18 5.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.464 -179.649 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.571 ' N ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -60.89 -42.73 98.56 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.773 0.321 . . . . 0.0 110.625 -179.532 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.424 ' HG2' ' HD2' ' A' ' 10' ' ' LYS . 1.3 mm-40 -61.79 -26.1 67.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.31 179.15 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -86.75 -34.5 19.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.402 179.467 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.566 ' O ' HD23 ' A' ' 17' ' ' LEU . 1.6 tp -65.32 -32.38 74.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.896 179.111 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.77 HD22 ' O ' ' A' ' 19' ' ' LEU . 12.5 mt -68.86 -37.17 78.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.709 179.713 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -56.64 -53.63 55.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.663 179.832 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.75 -12.8 61.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.937 179.479 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.608 ' CD2' HD11 ' A' ' 55' ' ' LEU . 0.6 OUTLIER -90.15 -9.35 48.59 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.708 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.68 19.85 1.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.278 0.561 . . . . 0.0 110.042 -178.815 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.827 HD13 ' HA ' ' A' ' 30' ' ' MET . 3.6 tt -113.08 111.26 50.67 Favored Pre-proline 0 N--CA 1.452 -0.368 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.672 -179.286 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.446 ' O ' HD13 ' A' ' 23' ' ' LEU . 85.6 Cg_exo -46.06 166.26 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.66 2.24 . . . . 0.0 113.36 -178.727 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.38 -3.66 57.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.194 179.444 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -78.32 -32.36 49.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.921 0.391 . . . . 0.0 110.902 -179.345 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.706 HD21 HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -101.42 10.95 39.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.134 179.831 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.576 ' HE3' HD21 ' A' ' 14' ' ' LEU . 46.2 t-105 -52.75 100.98 0.03 OUTLIER 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.288 179.599 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.92 -31.46 0.61 Allowed Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.663 179.833 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.478 ' HB3' ' HB2' ' A' ' 29' ' ' ARG . 19.1 t0 -73.96 93.75 2.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.718 0.294 . . . . 0.0 111.17 -179.906 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.855 ' CE1' HG11 ' A' ' 66' ' ' VAL . 20.4 t80 -49.37 -36.65 22.32 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.553 -179.676 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.67 -31.62 73.56 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.848 -0.691 . . . . 0.0 113.0 -179.448 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.552 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -82.85 -35.44 26.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.85 0.357 . . . . 0.0 111.238 -179.645 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.827 ' HA ' HD13 ' A' ' 19' ' ' LEU . 13.5 ptp -74.35 -42.89 58.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.024 -179.902 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -64.35 -47.73 78.21 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.107 -179.994 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' A' ' 29' ' ' ARG . 1.3 pt20 -57.29 -33.11 67.31 Favored 'General case' 0 C--O 1.231 0.107 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.692 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.524 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -77.4 -44.62 28.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.1 178.995 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.563 ' HB2' HD11 ' A' ' 17' ' ' LEU . 12.2 t80 -54.17 -37.27 64.27 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.26 179.199 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.14 -44.5 38.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.47 179.567 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -61.6 -30.0 70.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.499 179.581 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.506 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 91.9 mm-40 -87.48 -18.33 30.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.07 179.798 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.1 m -77.19 -35.04 56.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.922 0.392 . . . . 0.0 110.611 179.678 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.1 mt -62.29 -32.35 73.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.0 pp -89.18 -15.81 32.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.789 179.719 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.626 HD22 ' HB3' ' A' ' 51' ' ' LEU . 17.1 mt -94.81 -5.83 44.25 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.02 179.535 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.567 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 4.1 t-80 -68.9 138.45 90.29 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.163 179.413 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.567 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 26.1 Cg_endo -62.78 -12.69 30.14 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.531 2.154 . . . . 0.0 112.823 -179.749 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.54 -21.94 25.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.733 0.301 . . . . 0.0 110.903 179.71 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.531 ' HD3' ' HB3' ' A' ' 42' ' ' HIS . 0.9 OUTLIER -99.92 31.01 3.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.016 -179.955 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.54 45.71 75.32 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.682 179.737 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -125.52 171.59 17.44 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.491 179.835 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.605 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -89.99 150.56 22.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.889 0.376 . . . . 0.0 110.854 -179.975 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 -79.01 -41.94 27.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.48 -36.75 76.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.61 -179.732 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.626 ' HB3' HD22 ' A' ' 41' ' ' LEU . 3.7 mp -62.28 -55.77 25.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.224 -179.62 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 7.6 tpt -56.99 -30.42 64.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.205 -179.747 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -69.83 -27.55 64.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.8 179.837 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.97 -49.24 38.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.863 179.919 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.608 HD11 ' CD2' ' A' ' 17' ' ' LEU . 7.9 tp -55.53 -46.38 77.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -59.17 -42.75 91.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.01 0.433 . . . . 0.0 110.705 179.78 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 t -66.08 -30.64 71.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.6 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 9.1 mt -86.28 -24.99 25.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.444 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.57 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 63.8 t-105 -89.47 -26.25 21.04 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.108 -0.331 . . . . 0.0 110.108 179.883 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.427 ' HA2' ' NZ ' ' A' ' 63' ' ' LYS . . . -68.29 -63.65 3.49 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.825 -0.702 . . . . 0.0 111.957 179.109 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.603 ' CG2' HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -52.83 -50.19 64.18 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 178.905 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.529 ' HB2' ' O ' ' A' ' 58' ' ' LEU . 5.7 t80 -45.9 -49.37 15.68 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 113.436 -1.711 . . . . 0.0 109.491 177.931 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.585 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 0.2 OUTLIER -56.93 -33.46 67.01 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 114.136 -1.393 . . . . 0.0 111.145 179.724 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.416 ' HB ' ' O ' ' A' ' 61' ' ' THR . 58.1 m -50.88 -37.9 46.39 Favored 'General case' 0 CA--C 1.521 -0.152 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.887 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -85.33 -30.89 23.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.55 178.36 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.855 HG11 ' CE1' ' A' ' 27' ' ' PHE . 76.7 t . . . . . 0 N--CA 1.458 -0.058 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.699 179.796 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.812 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.0 pt? . . . . . 0 C--O 1.232 0.152 0 CA-C-O 121.027 0.442 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.7 p -84.14 -176.15 6.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.97 -179.369 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.485 ' HG3' ' N ' ' A' ' 8' ' ' ALA . 8.2 ptt180 -57.78 -36.6 72.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.015 -179.94 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.485 ' N ' ' HG3' ' A' ' 7' ' ' ARG . . . -64.76 -41.87 95.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.812 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 1.4 m-20 -59.37 -59.66 5.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 179.75 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.508 ' N ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -60.59 -44.2 96.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.685 -179.975 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -63.93 -28.29 69.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.229 179.414 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -85.11 -27.85 25.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.229 179.284 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.687 ' O ' HD13 ' A' ' 17' ' ' LEU . 1.1 tp -68.13 -30.22 69.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.048 179.39 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.791 HD22 HD23 ' A' ' 19' ' ' LEU . 89.2 mt -77.72 -37.4 49.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.008 -179.889 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -59.67 -36.69 76.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.861 179.797 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.44 HD21 HD23 ' A' ' 51' ' ' LEU . 5.6 mp -84.56 -19.88 32.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.23 179.947 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.687 HD13 ' O ' ' A' ' 13' ' ' LEU . 7.2 mp -90.23 -0.58 57.69 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.87 20.39 1.61 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.294 0.569 . . . . 0.0 110.026 -178.902 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.917 HD13 ' HA ' ' A' ' 30' ' ' MET . 4.2 tt -110.65 111.56 56.92 Favored Pre-proline 0 N--CA 1.449 -0.485 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.179 -178.891 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.411 ' O ' HD13 ' A' ' 23' ' ' LEU . 77.0 Cg_exo -47.53 168.17 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 123.156 2.57 . . . . 0.0 113.975 -178.591 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.401 ' HA ' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -90.59 -7.48 52.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.737 179.649 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -76.37 -33.86 58.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.0 0.428 . . . . 0.0 111.252 -178.76 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.682 HD21 HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -97.21 12.64 32.14 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.53 -179.652 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.767 ' CE3' HD11 ' A' ' 14' ' ' LEU . 73.4 t-105 -51.88 97.19 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.234 179.492 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.23 -25.68 0.61 Allowed Glycine 0 C--N 1.332 0.358 0 C-N-CA 120.507 -0.854 . . . . 0.0 113.049 179.883 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.409 ' O ' ' HG2' ' A' ' 30' ' ' MET . 42.5 t0 -80.53 89.71 5.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.591 0.234 . . . . 0.0 111.147 -179.678 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.807 ' CD1' HG11 ' A' ' 66' ' ' VAL . 30.2 t80 -48.2 -35.81 12.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.743 0.306 . . . . 0.0 111.521 -179.788 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.435 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -64.0 -41.08 98.73 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 0.0 113.296 -179.388 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -76.21 -37.8 57.3 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -178.985 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.917 ' HA ' HD13 ' A' ' 19' ' ' LEU . 18.2 ptp -73.26 -40.34 64.69 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.171 -0.212 . . . . 0.0 111.025 -179.879 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -66.36 -36.98 84.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.898 0.38 . . . . 0.0 110.084 179.266 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.435 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -66.28 -36.33 82.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.932 179.13 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.515 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -76.63 -31.65 57.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.37 179.355 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.483 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 13.4 t80 -61.72 -45.14 95.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.513 179.644 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -41.94 78.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.016 0.436 . . . . 0.0 110.443 179.729 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -63.8 -32.2 73.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.611 179.776 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.513 ' OE1' HD21 ' A' ' 40' ' ' LEU . 98.1 mm-40 -90.0 -21.12 22.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.811 179.914 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.2 m -69.81 -37.17 76.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.029 0.442 . . . . 0.0 110.27 179.223 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.8 mt -61.38 -50.35 73.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.841 179.911 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.707 HD12 ' HG ' ' A' ' 41' ' ' LEU . 2.6 pp -64.42 -20.69 66.31 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.707 ' HG ' HD12 ' A' ' 40' ' ' LEU . 34.0 mt -95.72 9.08 41.59 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.796 179.249 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 -85.27 131.63 47.67 Favored Pre-proline 0 CA--C 1.53 0.186 0 CA-C-O 120.613 0.244 . . . . 0.0 110.713 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -45.61 -16.3 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.852 2.368 . . . . 0.0 113.614 -179.982 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -92.4 -28.75 16.68 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.785 0.326 . . . . 0.0 111.067 -179.818 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp -98.41 29.02 3.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.058 -179.807 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 59.66 89.38 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.428 -179.909 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -154.07 164.93 31.56 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.581 -179.887 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.516 ' HB2' HD13 ' A' ' 51' ' ' LEU . 2.7 m -87.96 151.61 22.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.851 0.358 . . . . 0.0 110.965 -179.875 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -80.07 -35.99 36.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.777 179.955 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.79 -21.84 66.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.382 -179.886 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.521 ' HB3' HD22 ' A' ' 41' ' ' LEU . 0.5 OUTLIER -86.05 -49.34 7.87 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.976 0.417 . . . . 0.0 110.447 179.735 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -31.05 65.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.278 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -83.07 -38.06 23.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -36.14 83.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.988 0.423 . . . . 0.0 110.225 179.509 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.633 HD11 HD11 ' A' ' 17' ' ' LEU . 9.0 tp -67.82 -46.56 71.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.633 179.732 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -61.85 -39.37 91.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.954 179.921 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.63 -32.42 60.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.742 179.752 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.597 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 13.1 mt -78.94 -29.12 43.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.21 -179.698 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.604 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 63.2 t-105 -88.87 -25.73 21.99 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 179.77 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.2 -63.73 3.16 Favored Glycine 0 C--N 1.335 0.504 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.99 179.031 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.711 HG23 HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -51.1 -49.37 60.84 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 178.779 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.542 ' HB2' ' O ' ' A' ' 58' ' ' LEU . 7.2 t80 -46.48 -56.38 6.04 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 113.221 -1.809 . . . . 0.0 109.289 177.556 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.604 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -53.52 -38.31 63.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.53 -1.214 . . . . 0.0 111.237 179.378 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' A' ' 61' ' ' THR . 28.5 m -47.95 -41.14 24.22 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 121.268 0.556 . . . . 0.0 109.519 179.098 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -83.57 -28.33 28.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.833 178.62 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.807 HG11 ' CD1' ' A' ' 27' ' ' PHE . 71.9 t . . . . . 0 N--CA 1.456 -0.172 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.068 -179.879 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.72 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 121.087 0.47 . . . . 0.0 111.732 . . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.6 p -85.92 -169.15 2.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.807 -179.976 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.8 tpp85 -63.19 -37.06 85.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.958 179.882 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.412 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . . . -72.6 -25.1 61.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.745 -179.594 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.72 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 7.3 m-20 -86.27 -49.2 7.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.582 0.23 . . . . 0.0 110.822 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.511 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -56.77 -44.01 81.39 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.953 0.406 . . . . 0.0 110.054 179.442 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.412 ' HG2' ' HA ' ' A' ' 8' ' ' ALA . 0.5 OUTLIER -62.21 -30.77 71.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.992 179.008 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -68.38 -40.7 81.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.767 179.021 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.528 ' O ' HD13 ' A' ' 17' ' ' LEU . 1.4 tp -56.37 -31.44 63.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.086 179.103 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.745 HD12 ' HG2' ' A' ' 21' ' ' ARG . 12.7 mt -70.31 -48.53 56.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.889 179.712 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -49.57 -29.16 6.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.98 0.419 . . . . 0.0 110.666 179.788 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.1 mp -87.65 -22.9 24.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.265 179.798 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.699 HD11 HD11 ' A' ' 55' ' ' LEU . 6.6 mp -88.28 0.34 56.25 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 179.572 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 54.4 19.05 2.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.379 0.609 . . . . 0.0 110.042 -178.893 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.799 HD21 HD21 ' A' ' 23' ' ' LEU . 1.9 tt -109.78 110.27 59.31 Favored Pre-proline 0 N--CA 1.448 -0.533 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.835 -179.244 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -46.19 168.24 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.88 2.386 . . . . 0.0 113.699 -178.604 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.745 ' HG2' HD12 ' A' ' 14' ' ' LEU . 26.1 mtm105 -90.32 -3.3 57.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.041 179.291 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -80.85 -29.44 35.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.874 0.369 . . . . 0.0 111.482 -178.776 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.799 HD21 HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -105.1 11.65 32.99 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.275 179.992 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.6 ' HE3' HD11 ' A' ' 14' ' ' LEU . 27.9 t-105 -54.91 114.68 1.83 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.019 179.424 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 139.87 -26.78 2.6 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.493 -179.925 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.4 ' O ' ' HG2' ' A' ' 30' ' ' MET . 9.8 t70 -79.09 88.49 4.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.674 0.273 . . . . 0.0 111.066 -179.86 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.814 ' CE1' HG11 ' A' ' 66' ' ' VAL . 5.4 t80 -45.7 -32.5 2.47 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.803 -179.695 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.67 -33.23 71.29 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.896 -179.569 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.459 ' HB3' HD11 ' A' ' 19' ' ' LEU . 10.1 mtp180 -84.41 -36.09 22.64 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.565 0.209 . . . . 0.0 111.565 -179.341 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.623 ' HA ' HD13 ' A' ' 19' ' ' LEU . 15.4 ptp -74.24 -44.85 51.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.751 -0.204 . . . . 0.0 111.233 -179.729 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -64.89 -44.29 90.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.908 0.385 . . . . 0.0 110.498 179.669 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -34.16 72.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.147 179.384 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.05 -30.58 39.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.442 179.497 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.433 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 12.8 t80 -61.36 -48.14 82.65 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.343 179.614 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.6 -45.23 91.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.569 179.729 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.56 -30.86 68.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.888 179.864 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.555 ' HA ' HD23 ' A' ' 40' ' ' LEU . 22.0 mm100 -90.19 -24.67 20.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.084 179.872 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.7 m -79.71 -35.14 39.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.849 0.357 . . . . 0.0 110.794 179.948 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.477 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 2.7 mt -64.89 -24.68 67.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.168 -179.804 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.555 HD23 ' HA ' ' A' ' 37' ' ' GLN . 1.6 pp -90.16 -28.7 18.74 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.233 -179.885 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.583 HD21 HD22 ' A' ' 51' ' ' LEU . 15.4 mt -93.4 23.02 4.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.947 0.403 . . . . 0.0 110.59 179.21 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.472 ' ND1' ' HD2' ' A' ' 43' ' ' PRO . 86.3 t60 -90.18 137.62 27.75 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.669 179.855 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.472 ' HD2' ' ND1' ' A' ' 42' ' ' HIS . 91.1 Cg_exo -41.87 -53.37 3.45 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.863 2.375 . . . . 0.0 113.225 -179.799 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.415 ' HB2' ' CD2' ' A' ' 42' ' ' HIS . 6.6 m-20 -67.57 -11.6 58.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.687 -179.626 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' A' ' 39' ' ' LEU . 10.1 mmtm -113.9 31.02 6.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.783 0.325 . . . . 0.0 110.779 179.927 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 57.45 63.68 5.07 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 179.964 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -128.56 163.0 22.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 -179.924 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.565 ' HB2' HD13 ' A' ' 51' ' ' LEU . 1.6 m -90.13 152.84 20.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 111.138 -179.878 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.56 -44.86 18.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.739 179.803 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.429 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -60.41 -27.01 67.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.183 -179.949 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.583 HD22 HD21 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -78.73 -48.98 13.86 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.101 -179.916 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -45.38 87.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.208 -179.628 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -69.47 -35.87 76.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.24 -179.6 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.532 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -63.65 -46.74 84.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.097 0.475 . . . . 0.0 110.351 179.707 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.699 HD11 HD11 ' A' ' 17' ' ' LEU . 12.6 tp -68.13 -43.29 78.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.948 -179.919 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.09 -33.04 72.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.904 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.4 -36.89 45.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.737 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.536 ' HA ' HD23 ' A' ' 5' ' ' LEU . 0.5 OUTLIER -77.52 -25.45 50.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 179.804 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.528 ' HB2' HD11 ' A' ' 13' ' ' LEU . 61.2 t-105 -90.87 -25.57 19.78 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.434 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.425 ' HA2' ' NZ ' ' A' ' 63' ' ' LYS . . . -67.71 -68.6 1.6 Allowed Glycine 0 C--N 1.336 0.566 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.824 179.857 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.563 ' CG2' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -50.47 -48.86 56.45 Favored 'General case' 0 CA--C 1.51 -0.562 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 179.276 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.516 ' N ' ' CG2' ' A' ' 61' ' ' THR . 5.6 t80 -44.45 -52.48 7.81 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 113.395 -1.729 . . . . 0.0 109.347 177.597 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.617 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 0.1 OUTLIER -55.73 -41.74 74.33 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 114.08 -1.418 . . . . 0.0 111.011 179.382 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.43 ' HB ' ' O ' ' A' ' 61' ' ' THR . 94.8 m -51.3 -35.59 38.52 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 178.891 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.32 -31.99 22.72 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.589 178.318 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.814 HG11 ' CE1' ' A' ' 27' ' ' PHE . 50.1 t . . . . . 0 C--O 1.231 0.088 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.822 -179.952 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.818 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.125 0.488 . . . . 0.0 111.582 . . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.2 p -88.87 177.51 6.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.295 -178.813 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.453 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 36.3 ttm180 -50.84 -35.19 31.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.049 -179.93 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.92 -44.24 70.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.635 -179.692 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.818 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 42.9 m-20 -73.91 -43.38 58.58 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 121.097 -0.241 . . . . 0.0 111.258 -179.541 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.798 ' HB3' HD13 ' A' ' 5' ' ' LEU . 4.3 pttp -67.77 -33.93 75.8 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.877 0.37 . . . . 0.0 110.3 179.501 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.453 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 23.5 tp10 -65.62 -34.83 79.15 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.112 0.482 . . . . 0.0 109.716 178.908 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -66.46 -34.43 77.92 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.662 179.014 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.779 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.9 tp -62.46 -31.74 72.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.124 179.291 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.852 HD22 ' O ' ' A' ' 19' ' ' LEU . 13.2 mt -75.04 -39.31 61.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.89 179.624 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.1 -41.13 67.94 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.021 -179.75 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.475 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 8.4 mp -79.15 -16.26 56.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.632 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.779 HD23 ' O ' ' A' ' 13' ' ' LEU . 3.2 mm? -90.2 -9.37 48.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.972 -179.77 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.22 20.84 1.99 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 121.351 0.596 . . . . 0.0 109.931 -178.637 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.944 HD21 HD21 ' A' ' 23' ' ' LEU . 3.1 tt -111.01 111.09 56.44 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.082 -179.016 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.441 ' O ' HD13 ' A' ' 23' ' ' LEU . 87.9 Cg_exo -43.98 166.92 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.919 2.413 . . . . 0.0 113.575 -178.828 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.2 -9.21 48.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.425 179.607 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -71.95 -35.27 69.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.151 0.501 . . . . 0.0 110.911 -179.215 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.944 HD21 HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -98.5 8.67 44.59 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.26 179.81 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.485 ' CE3' HD11 ' A' ' 14' ' ' LEU . 37.4 t-105 -52.6 100.46 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.019 179.417 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 158.66 -25.02 0.36 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.603 -179.938 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -79.66 89.03 5.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.754 0.312 . . . . 0.0 111.078 -179.817 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.474 ' CE1' HG11 ' A' ' 66' ' ' VAL . 35.7 t80 -47.75 -49.14 29.29 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.091 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.496 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -57.41 -33.63 66.55 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.598 -179.876 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.16 -46.72 14.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.643 0.258 . . . . 0.0 111.634 -179.624 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.626 ' HA ' HD13 ' A' ' 19' ' ' LEU . 1.5 ptm -69.36 -44.57 71.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.45 -179.456 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -61.47 -42.72 99.22 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.529 179.701 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.512 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -54.92 -43.88 73.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.83 0.348 . . . . 0.0 110.371 179.647 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.742 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -67.91 -34.03 75.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.748 179.524 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.496 ' CE2' ' CG ' ' A' ' 59' ' ' TRP . 8.9 t80 -54.55 -38.64 66.86 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.681 179.573 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.82 -37.05 41.63 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.288 -179.828 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.512 ' HG2' ' O ' ' A' ' 32' ' ' GLN . 47.0 mm-40 -61.6 -45.7 92.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.857 0.36 . . . . 0.0 110.87 -179.847 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.543 ' HA ' HD21 ' A' ' 40' ' ' LEU . 23.4 mm100 -80.73 -19.21 45.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.048 179.936 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.1 m -71.99 -34.77 69.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.998 0.428 . . . . 0.0 110.161 179.269 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 60.2 mt -66.02 -38.31 88.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.872 179.891 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.543 HD21 ' HA ' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -81.11 -14.92 57.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.034 179.666 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.437 HD22 ' HB3' ' A' ' 51' ' ' LEU . 14.5 mt -95.46 6.08 49.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.463 179.532 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.478 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 19.9 t-80 -87.9 136.15 32.79 Favored Pre-proline 0 C--N 1.332 -0.181 0 CA-C-O 120.719 0.295 . . . . 0.0 110.503 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.478 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 87.9 Cg_exo -45.76 -33.68 10.71 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.988 2.459 . . . . 0.0 113.25 -179.582 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.01 -12.92 60.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.602 -179.305 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -120.89 30.99 6.6 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.765 0.317 . . . . 0.0 111.079 -179.933 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 60.74 54.62 35.46 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.579 179.86 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -116.83 169.57 13.1 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.41 179.896 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.476 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.7 OUTLIER -90.06 149.21 22.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.9 0.381 . . . . 0.0 110.942 -179.917 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -83.3 -37.75 23.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.861 179.908 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.509 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -72.39 -28.82 63.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.492 -179.761 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.476 HD13 ' HB2' ' A' ' 48' ' ' SER . 0.2 OUTLIER -73.99 -49.79 22.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.854 0.359 . . . . 0.0 111.038 -179.784 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.471 ' HE2' ' O ' ' A' ' 52' ' ' MET . 0.0 OUTLIER -57.57 -38.4 74.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.378 -179.705 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -78.32 -32.19 49.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.984 -179.857 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.509 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 1.1 tp10 -64.77 -49.02 72.37 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.091 0.472 . . . . 0.0 110.09 179.224 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.507 HD12 HD12 ' A' ' 13' ' ' LEU . 10.1 tp -61.6 -39.24 90.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.817 179.853 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -60.64 -33.01 72.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.804 179.99 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.77 -36.59 62.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -179.902 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.529 ' HA ' HD23 ' A' ' 5' ' ' LEU . 17.5 mt -79.62 -28.67 40.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.833 179.933 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.672 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 71.5 t-105 -89.81 -18.61 25.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.025 179.53 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.415 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -75.21 -60.88 3.16 Favored Glycine 0 C--N 1.334 0.45 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.082 179.382 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.569 ' CG2' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -56.93 -50.18 73.35 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 179.434 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.766 ' O ' ' HG3' ' A' ' 65' ' ' GLU . 4.7 t80 -45.18 -49.66 11.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 113.442 -1.708 . . . . 0.0 109.679 178.038 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.672 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 1.7 ttmt -57.58 -40.26 78.61 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.729 179.54 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' ' 61' ' ' THR . 86.9 m -53.12 -44.4 67.64 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 178.871 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.766 ' HG3' ' O ' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -82.91 -19.25 37.67 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.246 178.645 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.564 ' HB ' ' HA ' ' A' ' 63' ' ' LYS . 6.4 t . . . . . 0 C--N 1.339 0.127 0 CA-C-O 120.784 0.326 . . . . 0.0 110.449 179.605 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.734 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 1.9 pt? . . . . . 0 C--O 1.23 0.075 0 CA-C-O 121.004 0.43 . . . . 0.0 110.578 . . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.9 p -76.64 173.18 11.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.419 -178.85 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -50.27 -33.67 20.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.736 179.834 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.468 ' O ' ' HB2' ' A' ' 12' ' ' ARG . . . -69.86 -26.16 64.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.193 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.734 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 2.0 m-20 -82.7 -55.41 4.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.05 -179.855 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -40.33 87.81 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.908 0.385 . . . . 0.0 110.24 179.844 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -68.98 -31.19 69.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.065 179.13 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.468 ' HB2' ' O ' ' A' ' 8' ' ' ALA . 13.3 ttm-85 -73.97 -36.81 64.59 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.071 179.184 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 tp -63.22 -38.02 89.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.919 178.977 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.837 HD21 ' HE3' ' A' ' 24' ' ' TRP . 14.6 mt -63.72 -47.81 79.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.831 179.827 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -58.84 -23.62 60.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.981 179.855 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.0 mt -89.91 -30.47 17.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.965 -179.862 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.751 HD11 HD11 ' A' ' 55' ' ' LEU . 8.8 mp -85.65 -0.23 54.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.297 -0.411 . . . . 0.0 112.053 179.963 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.44 18.89 1.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.219 0.533 . . . . 0.0 110.435 -179.062 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.738 ' O ' HD22 ' A' ' 14' ' ' LEU . 3.5 tt -104.56 110.79 64.83 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.876 -179.178 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.514 ' HB2' HD21 ' A' ' 23' ' ' LEU . 53.0 Cg_exo -52.67 176.61 0.07 OUTLIER 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.902 2.401 . . . . 0.0 112.775 -179.582 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 46.5 mtp85 -80.76 -26.65 37.15 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.061 -179.475 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.26 -11.71 10.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.934 -179.687 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.778 HD23 ' N ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -128.67 20.92 6.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.097 0.475 . . . . 0.0 110.538 179.969 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.837 ' HE3' HD21 ' A' ' 14' ' ' LEU . 36.9 t-105 -53.25 -17.86 2.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.268 179.791 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -101.16 -19.72 15.89 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.294 179.363 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -63.93 89.96 0.06 Allowed 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.945 0.403 . . . . 0.0 110.8 179.945 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.502 ' CE1' HG11 ' A' ' 66' ' ' VAL . 19.0 t80 -59.3 -42.1 90.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.372 -179.596 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.11 -32.0 82.7 Favored Glycine 0 CA--C 1.518 0.261 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.919 -179.563 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.23 -45.68 25.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.784 0.326 . . . . 0.0 111.232 -179.589 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.498 ' HA ' HD13 ' A' ' 19' ' ' LEU . 11.4 ptp -63.67 -43.37 96.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.131 -179.685 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -61.82 -37.79 85.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 0.0 110.342 179.69 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -66.7 -36.04 81.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.176 179.451 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.557 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -81.14 -32.31 33.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.57 179.559 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.467 ' CE2' ' CG ' ' A' ' 59' ' ' TRP . 7.8 t80 -61.44 -46.36 90.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.295 179.587 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.0 tttp -68.58 -40.04 80.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.504 179.704 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -67.13 -33.25 75.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.614 179.62 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.432 ' HG3' ' HA ' ' A' ' 17' ' ' LEU . 27.4 mm100 -86.35 -22.95 26.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.145 -179.882 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.64 -28.49 66.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.572 179.525 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.414 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 1.3 mt -77.21 -45.94 24.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.218 -179.703 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.47 ' HA ' ' HB3' ' A' ' 45' ' ' LYS . 3.4 pp -75.29 -8.86 57.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.671 0.272 . . . . 0.0 111.443 -179.796 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.499 HD22 ' HB3' ' A' ' 51' ' ' LEU . 19.7 mt -95.28 3.41 54.54 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.15 179.38 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.447 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 29.8 t-80 -90.1 140.18 27.37 Favored Pre-proline 0 CA--C 1.531 0.23 0 CA-C-O 120.735 0.302 . . . . 0.0 110.587 179.766 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.447 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 82.0 Cg_exo -45.45 -25.82 2.39 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 123.143 2.562 . . . . 0.0 113.975 -179.411 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.31 -22.86 32.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.588 0.232 . . . . 0.0 111.512 -179.257 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.47 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -108.71 30.43 6.51 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.845 0.355 . . . . 0.0 110.79 -179.752 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.11 52.23 28.94 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.5 179.852 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -127.42 161.31 21.54 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.574 179.913 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.15 151.36 21.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.759 0.314 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -70.69 -47.02 61.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.662 179.68 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.521 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -65.41 -35.23 80.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.18 179.961 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.499 ' HB3' HD22 ' A' ' 41' ' ' LEU . 9.9 mt -66.26 -52.95 42.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.374 -179.628 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -45.69 64.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 0.0 111.127 -179.867 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -73.44 -30.52 63.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.769 179.801 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.521 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 9.8 tt0 -63.07 -33.56 75.71 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.971 0.415 . . . . 0.0 110.154 179.403 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.751 HD11 HD11 ' A' ' 17' ' ' LEU . 10.8 tp -69.46 -46.39 66.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.657 179.791 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -62.97 -34.1 76.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.679 179.82 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 73.2 m -74.95 -33.3 61.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.547 179.722 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.612 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 22.5 mt -83.28 -29.58 28.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.516 179.716 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.589 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 70.6 t-105 -83.11 -13.39 55.74 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.912 179.502 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -80.73 -63.92 1.86 Allowed Glycine 0 C--N 1.338 0.646 0 C-N-CA 121.02 -0.61 . . . . 0.0 111.78 179.069 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.602 ' CG2' HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -53.46 -50.31 65.58 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 107.459 -1.312 . . . . 0.0 107.459 178.877 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.558 ' N ' ' CG2' ' A' ' 61' ' ' THR . 2.7 t80 -44.85 -50.27 10.4 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 113.464 -1.698 . . . . 0.0 109.517 178.013 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.589 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 2.2 ttmt -58.84 -38.83 79.58 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.288 -1.324 . . . . 0.0 111.163 179.543 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 44.0 m -46.9 -37.72 9.34 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.155 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -85.58 -32.23 22.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.668 178.416 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.559 ' HB ' ' HA ' ' A' ' 63' ' ' LYS . 72.5 t . . . . . 0 N--CA 1.456 -0.159 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.3 -179.785 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.795 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.212 0.529 . . . . 0.0 111.738 . . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.3 p -89.43 -169.02 2.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.016 -179.372 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.5 mtt-85 -64.44 -34.28 77.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.591 179.83 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.66 -37.56 76.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.355 -179.78 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.795 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -79.33 -51.5 9.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.618 -0.264 . . . . 0.0 110.984 -179.8 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.581 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -57.33 -33.12 67.4 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.032 0.444 . . . . 0.0 109.897 179.374 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.7 tp10 -70.76 -31.29 68.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.464 178.439 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 ttt85 -63.7 -35.88 82.02 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.733 178.908 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.582 ' O ' HD23 ' A' ' 17' ' ' LEU . 3.1 tp -64.53 -37.22 86.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.741 179.108 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.662 HD22 ' O ' ' A' ' 19' ' ' LEU . 15.7 mt -66.75 -41.28 88.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.142 179.999 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -54.22 -44.99 72.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.735 -179.995 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.432 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 0.9 OUTLIER -81.81 -15.9 52.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.996 179.834 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.625 HD21 HD11 ' A' ' 55' ' ' LEU . 0.7 OUTLIER -89.58 -4.39 57.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.641 -179.573 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 52.93 19.07 1.21 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.282 0.563 . . . . 0.0 110.598 -179.061 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.873 HD13 ' HA ' ' A' ' 30' ' ' MET . 5.4 tt -113.31 110.32 50.78 Favored Pre-proline 0 N--CA 1.449 -0.512 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.813 -179.626 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -52.25 170.81 0.22 Allowed 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.673 2.249 . . . . 0.0 113.448 -178.7 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.34 -9.0 54.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.768 179.1 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.16 -34.07 74.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.067 -179.271 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.838 ' CD2' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -105.7 11.42 32.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.088 179.879 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.611 ' HE3' HD21 ' A' ' 14' ' ' LEU . 63.4 t-105 -49.37 100.85 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.29 179.441 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.19 -22.97 0.87 Allowed Glycine 0 CA--C 1.521 0.419 0 C-N-CA 120.768 -0.73 . . . . 0.0 113.017 179.953 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.405 ' O ' ' HG2' ' A' ' 30' ' ' MET . 12.9 t0 -78.58 88.46 4.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.624 0.249 . . . . 0.0 111.155 -179.748 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.725 ' CE1' HG11 ' A' ' 66' ' ' VAL . 14.0 t80 -49.94 -36.35 27.54 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.974 -179.62 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.22 -39.72 94.56 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.769 -0.729 . . . . 0.0 113.228 -179.283 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.49 -43.59 26.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.682 0.241 . . . . 0.0 111.615 -179.277 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.873 ' HA ' HD13 ' A' ' 19' ' ' LEU . 13.3 ptp -62.04 -44.82 95.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.673 0.273 . . . . 0.0 110.948 -179.746 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -63.14 -37.71 88.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.427 179.688 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.7 tp60 -60.51 -32.95 71.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.329 179.501 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.54 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -80.59 -42.06 22.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.505 179.453 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.513 ' CE2' ' CD1' ' A' ' 59' ' ' TRP . 8.5 t80 -51.33 -41.78 60.8 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-O 121.11 0.481 . . . . 0.0 109.821 179.066 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? -73.18 -34.24 65.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.314 179.429 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -61.77 -41.15 97.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.637 179.774 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 0.8 OUTLIER -83.93 -22.75 31.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.079 179.78 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.3 m -64.07 -28.35 69.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.028 179.81 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 39' ' ' LEU . 17.9 mt -79.64 -31.65 41.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.497 -179.6 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.427 ' HG ' ' HA ' ' A' ' 37' ' ' GLN . 1.6 pp -89.16 -15.45 33.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.367 179.893 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 23.1 mt -94.2 -5.0 47.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.782 0.325 . . . . 0.0 110.699 179.151 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.494 ' HB3' ' HG2' ' A' ' 45' ' ' LYS . 26.1 t-80 -56.6 140.74 73.97 Favored Pre-proline 0 CA--C 1.531 0.245 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.32 179.384 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.484 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 36.2 Cg_endo -65.28 -18.04 59.75 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.566 2.177 . . . . 0.0 113.357 -179.029 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -85.81 -18.35 33.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.682 0.277 . . . . 0.0 111.329 -179.973 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.494 ' HG2' ' HB3' ' A' ' 42' ' ' HIS . 6.9 mmtt -100.94 31.24 3.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.9 0.381 . . . . 0.0 110.939 -179.648 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.65 45.69 93.93 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.675 179.845 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -107.19 175.34 20.43 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.324 179.845 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.411 ' HB2' HD12 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -90.13 145.75 24.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 110.889 179.972 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -82.92 -47.32 11.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.39 -25.42 68.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.5 -179.878 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.411 HD12 ' HB2' ' A' ' 48' ' ' SER . 7.7 mt -76.97 -48.65 17.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.869 0.366 . . . . 0.0 111.092 -179.842 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.62 -40.22 38.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.351 -179.699 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -71.46 -29.83 65.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.728 179.886 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.38 -48.78 76.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.625 HD11 HD21 ' A' ' 17' ' ' LEU . 13.2 tp -63.28 -34.3 77.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.105 -179.755 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -69.94 -32.55 70.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.106 -179.914 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 54.7 p -74.87 -46.2 37.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.254 -179.726 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.487 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 5.4 mt -69.45 -29.28 66.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.01 -179.852 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.543 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 69.4 t-105 -89.37 -19.02 25.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.135 179.956 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.08 -66.5 1.96 Allowed Glycine 0 C--N 1.335 0.505 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.121 179.438 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.544 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -52.77 -49.84 64.74 Favored 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 179.277 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.544 ' N ' ' CG2' ' A' ' 61' ' ' THR . 4.5 t80 -43.78 -49.59 8.0 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 113.553 -1.658 . . . . 0.0 109.358 177.852 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.572 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 1.7 ttmt -57.26 -41.09 79.01 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.11 -1.404 . . . . 0.0 111.1 179.387 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.412 ' HB ' ' O ' ' A' ' 61' ' ' THR . 90.7 m -46.33 -37.35 7.33 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 121.282 0.563 . . . . 0.0 109.526 179.279 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -85.48 -32.83 22.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.757 178.43 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.725 HG11 ' CE1' ' A' ' 27' ' ' PHE . 69.6 t . . . . . 0 C--N 1.334 -0.071 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.087 -179.933 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.759 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.2 pt? . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.98 0.419 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.6 p -89.4 -177.3 5.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.506 -178.891 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.99 -34.4 65.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.87 179.889 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.11 -42.01 94.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.742 179.721 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.759 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 1.0 OUTLIER -64.78 -56.5 13.19 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.054 179.919 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.466 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -59.6 -40.86 88.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.858 0.361 . . . . 0.0 110.653 -179.709 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.432 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 2.5 mm-40 -64.67 -32.22 73.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.177 179.161 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -79.25 -36.92 39.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.158 179.307 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.823 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.5 tp -59.85 -32.7 70.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.113 179.233 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.868 HD22 ' O ' ' A' ' 19' ' ' LEU . 26.5 mt -72.33 -42.61 65.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.175 -179.821 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -51.64 -36.59 46.72 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.067 0.46 . . . . 0.0 110.442 179.665 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.76 HD21 HD22 ' A' ' 51' ' ' LEU . 8.6 mp -86.1 -19.06 30.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.966 179.487 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.823 HD23 ' O ' ' A' ' 13' ' ' LEU . 3.5 mm? -89.89 -7.09 55.02 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.301 -0.409 . . . . 0.0 112.051 -179.859 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 mttp 55.19 19.1 2.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.268 0.556 . . . . 0.0 110.315 -178.924 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.868 ' O ' HD22 ' A' ' 14' ' ' LEU . 3.8 tt -108.18 107.41 60.18 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.017 -179.383 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -47.21 169.91 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.217 2.612 . . . . 0.0 114.105 -178.672 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.559 ' HG2' ' CD1' ' A' ' 14' ' ' LEU . 4.3 mtm105 -88.87 -3.12 58.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.118 179.388 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.97 -27.6 33.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.957 0.408 . . . . 0.0 111.232 -178.849 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.726 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -112.78 14.99 19.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.365 -179.864 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.616 ' CE3' HD11 ' A' ' 14' ' ' LEU . 55.6 t-105 -52.93 102.44 0.05 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.426 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 151.99 -20.27 0.87 Allowed Glycine 0 CA--C 1.521 0.446 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.986 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -75.92 88.57 2.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.648 0.261 . . . . 0.0 111.164 -179.831 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.719 ' CD1' HG11 ' A' ' 66' ' ' VAL . 23.6 t80 -51.93 -29.24 19.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.83 -179.737 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.37 -43.14 39.22 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 113.306 -179.308 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 84.4 mtt-85 -76.12 -35.87 59.1 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -179.263 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.479 ' HA ' HD13 ' A' ' 19' ' ' LEU . 13.8 ptp -67.34 -43.34 81.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.685 0.279 . . . . 0.0 111.054 -179.951 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -64.03 -33.68 76.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.901 0.381 . . . . 0.0 110.155 179.359 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -62.88 -38.04 89.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.207 179.346 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.524 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -76.47 -41.57 46.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.666 179.563 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.428 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 14.9 t80 -53.03 -47.07 68.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.813 179.636 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.87 -38.06 76.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.019 -179.925 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.1 mm100 -64.91 -55.36 19.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.775 179.947 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.557 ' HA ' HD21 ' A' ' 40' ' ' LEU . 14.7 mm100 -69.33 -17.91 63.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.119 179.86 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.71 -28.59 68.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.991 0.424 . . . . 0.0 110.266 179.135 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 81.2 mt -71.4 -37.94 71.49 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.964 179.877 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.557 HD21 ' HA ' ' A' ' 37' ' ' GLN . 0.4 OUTLIER -84.89 -10.77 56.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.653 -179.89 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.751 HD22 ' HB3' ' A' ' 51' ' ' LEU . 31.4 mt -94.3 1.31 55.94 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.7 0.286 . . . . 0.0 111.312 179.559 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.469 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 16.6 t-80 -82.81 140.92 43.79 Favored Pre-proline 0 C--N 1.332 -0.195 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.184 179.641 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 20.5 Cg_endo -62.64 -9.13 14.94 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.461 2.107 . . . . 0.0 113.01 -179.463 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -93.09 -27.08 17.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.774 0.321 . . . . 0.0 110.766 179.628 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.405 ' HD3' ' HB3' ' A' ' 42' ' ' HIS . 0.1 OUTLIER -99.09 29.08 4.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.747 179.825 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 62.57 82.45 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.47 -179.913 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -155.52 -177.89 29.2 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.492 179.958 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.6 ' HB2' HD12 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -90.26 136.14 33.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.854 0.359 . . . . 0.0 110.801 -179.959 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 58.3 m80 -67.61 -42.39 82.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.925 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.34 -34.98 77.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 -179.949 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.76 HD22 HD21 ' A' ' 16' ' ' LEU . 8.0 mt -60.22 -49.14 78.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.844 -179.958 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 11.0 tpt -53.09 -38.52 62.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.803 179.79 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -76.07 -30.72 58.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.81 179.825 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -61.62 -53.04 61.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.665 179.898 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.724 HD11 ' CD2' ' A' ' 17' ' ' LEU . 11.6 tp -58.42 -47.43 83.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.062 179.793 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -58.67 -45.22 89.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.905 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.7 m -72.89 -32.51 65.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.635 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 10.0 mt -81.16 -22.78 38.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 -179.941 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.541 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 58.9 t-105 -90.47 -26.62 19.72 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 179.851 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.447 ' HA2' ' NZ ' ' A' ' 63' ' ' LYS . . . -68.94 -65.33 2.66 Favored Glycine 0 C--N 1.333 0.41 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.047 179.344 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.735 HG23 HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -50.71 -49.53 57.42 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 178.821 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.522 ' HB2' ' O ' ' A' ' 58' ' ' LEU . 5.6 t80 -45.62 -53.82 8.61 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 113.459 -1.7 . . . . 0.0 109.34 177.588 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.557 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 0.2 OUTLIER -53.2 -39.28 63.57 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.167 -1.379 . . . . 0.0 111.246 179.624 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.428 ' HB ' ' O ' ' A' ' 61' ' ' THR . 89.3 m -49.94 -37.61 32.73 Favored 'General case' 0 CA--C 1.521 -0.158 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 178.807 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -85.3 -29.74 24.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.878 178.305 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.719 HG11 ' CD1' ' A' ' 27' ' ' PHE . 83.9 t . . . . . 0 N--CA 1.456 -0.173 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.404 -179.73 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.734 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 1.6 pt? . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.967 0.413 . . . . 0.0 110.411 . . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.3 p -65.58 177.15 1.26 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.527 -178.841 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -56.2 -36.48 68.45 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.424 179.724 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.52 -39.31 88.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.948 179.767 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.734 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 10.0 m-20 -70.85 -56.28 6.65 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.98 -179.799 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.599 ' HA ' HD11 ' A' ' 5' ' ' LEU . 6.9 ptmt -57.75 -35.65 71.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.615 -179.891 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.438 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 4.5 mm-40 -73.48 -33.15 64.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.067 0.461 . . . . 0.0 109.831 178.857 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 -68.66 -26.95 65.57 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.112 179.044 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.792 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.7 tp -72.32 -35.37 68.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.782 179.068 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.66 HD21 ' HE3' ' A' ' 24' ' ' TRP . 13.5 mt -69.25 -38.69 78.59 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.839 179.788 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -55.25 37.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.741 179.903 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.57 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -70.69 -11.36 60.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.163 179.89 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.792 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.1 mm? -90.14 -7.69 53.07 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.749 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.93 19.5 2.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.217 0.532 . . . . 0.0 110.286 -178.744 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.786 HD21 ' CD2' ' A' ' 23' ' ' LEU . 6.4 tt -113.01 113.26 49.58 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.571 -179.574 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.441 ' O ' HD23 ' A' ' 19' ' ' LEU . 84.0 Cg_exo -46.48 166.07 0.08 OUTLIER 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.92 2.413 . . . . 0.0 113.582 -178.531 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.434 ' HA ' HD13 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -90.16 -3.3 57.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.192 179.401 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -78.96 -32.53 45.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.038 0.447 . . . . 0.0 111.065 -178.956 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.786 ' CD2' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -101.06 15.16 29.62 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.991 179.983 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.66 ' HE3' HD21 ' A' ' 14' ' ' LEU . 53.6 t-105 -54.84 98.37 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.195 179.533 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 156.41 -28.73 0.56 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.552 -0.832 . . . . 0.0 112.91 179.873 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -75.85 95.29 3.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.74 0.305 . . . . 0.0 111.285 -179.714 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.713 ' CE1' HG11 ' A' ' 66' ' ' VAL . 35.3 t80 -52.05 -33.62 39.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.58 -179.831 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.13 -34.16 80.42 Favored Glycine 0 CA--C 1.517 0.198 0 C-N-CA 120.731 -0.747 . . . . 0.0 113.141 -179.407 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.4 mtt85 -80.98 -46.19 15.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.813 0.307 . . . . 0.0 111.333 -179.626 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.761 ' HA ' HD13 ' A' ' 19' ' ' LEU . 16.1 ptp -59.69 -45.62 91.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.684 0.278 . . . . 0.0 110.933 -179.864 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -63.22 -43.44 98.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.368 179.668 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -55.78 -34.31 65.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.184 0.516 . . . . 0.0 110.088 179.214 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.589 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -80.1 -48.09 13.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.31 179.277 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.459 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 15.3 t80 -47.55 -43.84 25.44 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.26 179.853 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -74.32 -36.54 63.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.936 0.398 . . . . 0.0 110.752 179.982 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -36.65 84.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.673 179.858 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.57 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 21.7 mm100 -90.13 -19.25 24.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.21 -179.929 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.3 m -75.27 -29.98 60.3 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.903 0.383 . . . . 0.0 110.664 179.57 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.9 mt -64.4 -31.79 73.15 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.126 -179.823 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.0 pp -88.15 -18.39 28.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.844 179.928 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.673 HD22 ' HB3' ' A' ' 51' ' ' LEU . 56.3 mt -88.22 13.06 12.24 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 120.76 0.314 . . . . 0.0 111.001 179.24 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.448 ' CD2' ' HB2' ' A' ' 44' ' ' ASP . 49.6 t60 -89.58 130.92 41.6 Favored Pre-proline 0 CA--C 1.53 0.199 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.358 179.767 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.445 ' HD2' ' ND1' ' A' ' 42' ' ' HIS . 13.3 Cg_endo -56.31 -15.12 13.91 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.71 2.273 . . . . 0.0 113.051 -179.613 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.448 ' HB2' ' CD2' ' A' ' 42' ' ' HIS . 1.9 t70 -82.44 -20.35 37.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.689 0.28 . . . . 0.0 111.112 179.888 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.6 mmtt -108.19 30.92 5.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.926 0.393 . . . . 0.0 110.938 -179.876 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.44 50.95 34.51 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.649 -179.991 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -122.32 172.09 15.56 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.387 179.834 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.819 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -89.33 150.83 22.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.814 0.34 . . . . 0.0 110.893 179.999 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -79.17 -31.41 43.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.87 -35.53 64.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.52 -179.725 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.819 HD13 ' HB2' ' A' ' 48' ' ' SER . 3.2 mp -62.82 -51.71 65.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.279 -179.61 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 9.2 tpt -54.08 -46.72 72.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.352 -179.714 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -71.98 -24.84 61.65 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.079 -179.961 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -47.87 70.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.991 0.424 . . . . 0.0 110.65 179.634 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.516 HD11 HD21 ' A' ' 17' ' ' LEU . 12.7 tp -64.1 -37.8 88.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.923 -179.943 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.43 -36.87 85.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.765 179.901 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.37 -30.98 68.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 179.806 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.624 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 18.4 mt -83.77 -30.77 26.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.7 179.731 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.579 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 62.5 t-105 -88.62 -13.09 40.75 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.924 179.415 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.423 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -78.46 -63.23 2.16 Favored Glycine 0 C--N 1.336 0.576 0 C-N-CA 121.175 -0.536 . . . . 0.0 112.198 179.39 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.588 HG21 ' HB3' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -55.63 -49.7 72.16 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 179.268 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.553 ' N ' ' CG2' ' A' ' 61' ' ' THR . 5.5 t80 -44.2 -48.85 9.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 113.484 -1.689 . . . . 0.0 109.482 178.067 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.579 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 2.6 ttmt -57.81 -34.94 70.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.037 -1.438 . . . . 0.0 110.996 179.754 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.2 m -47.99 -37.64 15.15 Favored 'General case' 0 CA--C 1.52 -0.2 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.08 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -84.79 -32.36 23.41 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.536 178.646 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.713 HG11 ' CE1' ' A' ' 27' ' ' PHE . 90.6 t . . . . . 0 N--CA 1.453 -0.311 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.813 179.841 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.768 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.241 0.543 . . . . 0.0 111.996 . . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.4 p -90.4 -170.08 2.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.511 -179.105 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.417 ' HA ' ' CG ' ' A' ' 10' ' ' LYS . 34.1 mtp180 -61.76 -35.87 79.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.778 179.776 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.6 -42.79 81.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.319 -179.684 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.768 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 13.8 m-20 -72.39 -54.36 9.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.83 -179.926 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.417 ' CG ' ' HA ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -55.1 -33.03 62.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.831 0.348 . . . . 0.0 110.298 179.642 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -66.19 -37.31 85.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.089 179.153 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 -63.64 -37.5 87.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.856 179.436 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.661 ' O ' HD23 ' A' ' 17' ' ' LEU . 4.3 tp -63.4 -34.03 76.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.87 178.938 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.718 HD22 ' O ' ' A' ' 19' ' ' LEU . 11.2 mt -68.66 -38.81 80.71 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.139 -179.921 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -58.33 -44.79 88.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.4 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 1.0 OUTLIER -77.1 -13.08 60.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.144 179.836 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.661 HD23 ' O ' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -90.57 -12.79 36.01 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.724 -179.781 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.5 18.73 2.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.219 0.533 . . . . 0.0 110.4 -178.69 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.718 ' O ' HD22 ' A' ' 14' ' ' LEU . 1.6 tt -106.82 114.64 61.48 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.277 -179.604 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.525 ' HD2' HD11 ' A' ' 23' ' ' LEU . 44.3 Cg_exo -52.18 -179.48 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.518 2.146 . . . . 0.0 112.637 -179.392 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.6 mtt180 -84.98 -25.01 28.02 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.819 -179.508 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -64.21 -8.16 11.57 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.196 -0.456 . . . . 0.0 112.022 -179.755 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.771 HD23 ' N ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -132.98 17.19 4.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.865 0.364 . . . . 0.0 110.896 -179.785 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.629 ' HE3' HD21 ' A' ' 14' ' ' LEU . 39.7 t-105 -53.14 -23.01 7.17 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.045 179.837 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.2 -22.96 23.58 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.182 179.495 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -58.72 93.84 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.882 0.373 . . . . 0.0 110.729 179.844 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.562 ' CE1' HG11 ' A' ' 66' ' ' VAL . 15.0 t80 -58.51 -36.73 74.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.403 -179.656 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -69.02 -35.47 78.72 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.851 -0.69 . . . . 0.0 113.485 -179.133 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.444 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -83.89 -28.65 27.79 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -178.939 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.514 ' HA ' HD13 ' A' ' 19' ' ' LEU . 9.9 ptp -73.12 -44.88 59.64 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.889 -179.915 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.428 ' N ' ' HG3' ' A' ' 30' ' ' MET . 7.2 tt0 -68.41 -36.57 79.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.897 0.379 . . . . 0.0 110.29 179.512 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.441 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -61.39 -38.14 85.96 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.22 179.306 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.558 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -77.05 -41.92 40.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.934 179.82 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.47 ' CE2' ' CG ' ' A' ' 59' ' ' TRP . 8.2 t80 -49.82 -46.16 50.85 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.848 0.356 . . . . 0.0 110.7 179.858 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -76.42 -35.87 58.33 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.975 179.97 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.426 ' HB2' ' O ' ' A' ' 32' ' ' GLN . 0.3 OUTLIER -66.14 -34.57 78.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.738 179.825 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.643 ' O ' HD12 ' A' ' 41' ' ' LEU . 28.4 mm100 -87.62 -20.1 26.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.162 179.938 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 86.2 p -76.06 -32.51 59.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.669 179.577 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.0 mt -65.45 -35.35 80.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.996 -179.837 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 2.7 pp -86.12 -15.39 41.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.731 0.3 . . . . 0.0 111.039 179.772 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.643 HD12 ' O ' ' A' ' 37' ' ' GLN . 3.9 mt -95.14 7.28 46.61 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.906 0.384 . . . . 0.0 110.783 179.311 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.489 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 7.3 t-80 -70.51 141.74 88.34 Favored Pre-proline 0 N--CA 1.454 -0.239 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.524 179.95 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.489 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 28.6 Cg_endo -64.22 -19.16 65.56 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.807 2.338 . . . . 0.0 113.497 -178.961 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.04 -20.25 26.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.672 0.272 . . . . 0.0 111.222 -179.986 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.6 mmtt -99.14 30.33 3.5 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.897 0.379 . . . . 0.0 110.769 179.732 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.37 75.4 0.35 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.622 179.992 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -155.62 174.45 33.65 Favored Glycine 0 C--N 1.329 0.181 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.477 179.893 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.676 ' CB ' HD13 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -90.24 118.69 29.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.815 0.341 . . . . 0.0 110.744 179.962 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 46.9 p-80 -59.38 -41.8 90.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.197 -179.79 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.6 -35.7 63.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.742 0.306 . . . . 0.0 111.478 -179.752 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.676 HD13 ' CB ' ' A' ' 48' ' ' SER . 3.4 mp -63.36 -54.22 40.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.019 -179.942 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.12 -43.34 66.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 -179.782 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -70.0 -34.8 73.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.764 179.877 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -64.05 -36.85 85.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.596 179.793 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.583 HD11 HD21 ' A' ' 17' ' ' LEU . 12.3 tp -67.69 -35.59 79.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.798 179.89 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -63.03 -31.79 73.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.1 t -70.45 -47.92 58.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.186 -179.932 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.552 ' HB3' ' HB2' ' A' ' 13' ' ' LEU . 2.4 mt -70.26 -29.86 66.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.103 -179.798 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.574 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 68.0 t-105 -88.04 -18.28 29.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.319 179.784 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.14 -65.15 2.25 Favored Glycine 0 C--N 1.334 0.446 0 C-N-CA 120.942 -0.646 . . . . 0.0 112.16 179.44 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.537 HG21 ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -53.33 -49.86 66.19 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 107.376 -1.342 . . . . 0.0 107.376 179.208 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.531 ' N ' ' CG2' ' A' ' 61' ' ' THR . 3.7 t80 -44.73 -49.28 10.62 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 113.481 -1.69 . . . . 0.0 109.668 177.787 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.574 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 1.7 ttmt -57.45 -38.19 74.06 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.327 -1.306 . . . . 0.0 111.456 -179.971 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.1 m -47.02 -37.45 9.31 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.353 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -85.44 -32.83 22.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.723 178.187 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.562 HG11 ' CE1' ' A' ' 27' ' ' PHE . 81.7 t . . . . . 0 N--CA 1.457 -0.104 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.872 179.84 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.881 HD13 ' HB3' ' A' ' 10' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.878 0.371 . . . . 0.0 111.553 . . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.6 p -89.78 -177.9 5.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.773 179.796 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.01 -35.25 64.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.277 -179.843 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.78 -34.37 64.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.447 -179.811 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.668 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 24.4 m-20 -78.2 -50.57 11.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.017 -179.893 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.881 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -60.0 -35.26 74.65 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.005 0.431 . . . . 0.0 110.04 179.442 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.459 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 2.2 mm-40 -69.61 -33.12 72.22 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 178.857 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.6 -33.58 75.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.798 178.963 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.673 HD12 HD12 ' A' ' 55' ' ' LEU . 1.9 tp -61.2 -38.76 87.72 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.808 179.036 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.693 HD22 ' O ' ' A' ' 19' ' ' LEU . 36.8 mt -66.77 -35.57 80.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.103 179.753 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -54.32 -61.88 2.02 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.736 179.939 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.7 mp -68.27 -12.41 60.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 179.546 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.667 ' O ' ' HB1' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -90.08 -10.25 45.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.967 -179.8 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.31 19.11 2.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.359 0.599 . . . . 0.0 110.11 -178.875 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 1.117 HD11 HD21 ' A' ' 23' ' ' LEU . 2.6 tm? -111.97 98.9 43.87 Favored Pre-proline 0 N--CA 1.446 -0.637 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.48 -179.341 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.432 ' O ' HD13 ' A' ' 23' ' ' LEU . 88.5 Cg_exo -39.92 165.02 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.488 2.792 . . . . 0.0 114.134 -178.306 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.441 ' HA ' HD13 ' A' ' 14' ' ' LEU . 4.6 ptt-85 -90.21 -5.37 56.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.023 179.164 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -34.85 60.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.977 0.417 . . . . 0.0 110.958 -179.3 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.117 HD21 HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -98.31 4.12 48.69 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.22 179.867 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.679 ' CE3' HD11 ' A' ' 14' ' ' LEU . 59.7 t-105 -44.68 98.29 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.357 179.607 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.96 -26.1 0.63 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.607 -179.998 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.439 ' O ' ' HG2' ' A' ' 30' ' ' MET . 12.8 t0 -81.91 82.5 7.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.731 0.301 . . . . 0.0 111.018 -179.834 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.807 ' CD1' HG11 ' A' ' 66' ' ' VAL . 28.7 t80 -42.06 -31.34 0.35 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.917 -179.77 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.451 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -67.95 -37.96 88.4 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.931 -179.674 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.0 mtm180 -81.09 -49.12 11.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.663 0.268 . . . . 0.0 111.567 -179.427 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.711 ' HA ' ' HG ' ' A' ' 19' ' ' LEU . 8.4 ptp -58.53 -47.18 85.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.467 -179.467 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -63.82 -40.31 96.31 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.52 179.844 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.451 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.7 OUTLIER -58.15 -39.96 80.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.078 0.466 . . . . 0.0 110.223 179.348 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.667 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -71.37 -39.6 71.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.289 179.188 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.458 ' CE2' ' CB ' ' A' ' 59' ' ' TRP . 14.0 t80 -54.11 -46.55 72.15 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.562 179.441 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.5 mttm -64.27 -43.61 94.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.086 179.937 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -58.78 -35.89 73.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.875 0.369 . . . . 0.0 110.771 179.905 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.475 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 10.9 mm100 -90.26 -19.89 23.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.231 -179.891 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.3 p -72.45 -31.42 65.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.78 0.324 . . . . 0.0 110.605 179.739 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 mt -68.44 -33.7 74.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.455 -179.654 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.7 pp -86.22 -15.67 40.1 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.651 0.262 . . . . 0.0 110.845 179.643 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.515 HD22 ' HB3' ' A' ' 51' ' ' LEU . 35.1 mt -90.72 4.86 50.35 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 120.786 0.326 . . . . 0.0 110.798 179.377 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.527 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 2.6 t-80 -90.15 137.72 27.74 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.435 179.921 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.527 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 18.5 Cg_endo -60.03 -13.94 25.8 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.6 2.2 . . . . 0.0 112.766 -179.86 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.77 -18.5 34.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.672 0.272 . . . . 0.0 110.907 179.562 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -117.54 30.21 7.41 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.026 -179.944 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 75.51 42.14 28.04 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.705 179.83 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -122.13 167.24 14.7 Favored Glycine 0 C--N 1.329 0.155 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 179.871 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.8 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -90.19 154.71 19.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.705 0.288 . . . . 0.0 110.637 179.938 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.481 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 10.4 t-160 -83.23 -29.69 28.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.025 -179.941 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.94 -34.54 44.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.401 -179.786 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.8 HD13 ' HB2' ' A' ' 48' ' ' SER . 1.6 mp -63.74 -51.35 65.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.783 -179.878 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 10.8 tpt -57.22 -30.98 65.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.98 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 12.6 mm-40 -80.45 -39.29 28.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.775 179.931 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -59.99 -49.53 77.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.853 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.673 HD12 HD12 ' A' ' 13' ' ' LEU . 13.4 tp -66.33 -32.84 74.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.706 179.826 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.1 -35.37 76.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.605 179.852 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.78 -40.99 79.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.478 179.613 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.715 ' HA ' HD23 ' A' ' 5' ' ' LEU . 6.0 mt -70.83 -28.89 64.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.564 179.76 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.564 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 70.1 t-105 -90.49 -20.01 23.19 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 179.255 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.03 -63.95 2.42 Favored Glycine 0 C--N 1.336 0.57 0 C-N-CA 121.062 -0.59 . . . . 0.0 112.294 179.388 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.532 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -53.3 -49.48 66.93 Favored 'General case' 0 CA--C 1.51 -0.58 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 179.143 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.541 ' O ' HG23 ' A' ' 66' ' ' VAL . 2.0 t80 -45.27 -50.67 11.66 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 113.428 -1.715 . . . . 0.0 109.322 177.644 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.598 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 0.9 OUTLIER -59.4 -35.71 74.46 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.31 -1.314 . . . . 0.0 110.81 179.546 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.423 ' HB ' ' O ' ' A' ' 61' ' ' THR . 26.2 m -51.95 -36.58 49.85 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.102 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -83.67 -28.85 28.08 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.12 -0.946 . . . . 0.0 109.047 177.774 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.807 HG11 ' CD1' ' A' ' 27' ' ' PHE . 74.1 t . . . . . 0 N--CA 1.452 -0.328 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.101 179.6 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.739 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 1.9 pt? . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.987 0.422 . . . . 0.0 110.725 . . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.6 p -77.11 178.51 6.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.417 -179.031 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.6 ttt-85 -56.19 -32.91 64.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.709 179.798 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.61 -37.19 76.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.99 179.915 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.739 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -64.72 -60.26 3.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.895 -179.998 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.456 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -57.51 -37.8 73.6 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.266 0.555 . . . . 0.0 109.767 179.638 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -68.96 -26.7 65.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.753 178.47 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.2 -30.46 25.76 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.174 179.356 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.661 ' O ' HD23 ' A' ' 17' ' ' LEU . 1.5 tp -67.42 -32.6 73.59 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.021 179.302 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.857 HD22 ' O ' ' A' ' 19' ' ' LEU . 16.1 mt -69.58 -40.97 76.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.792 179.73 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -54.31 -47.27 72.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.717 179.924 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.464 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 0.4 OUTLIER -78.39 -15.65 58.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.997 179.697 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.661 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.3 mm? -90.49 -6.57 54.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.727 -179.999 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 mttp 53.37 20.14 1.86 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.34 0.591 . . . . 0.0 110.108 -178.846 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.857 ' O ' HD22 ' A' ' 14' ' ' LEU . 3.6 tt -112.12 110.03 54.11 Favored Pre-proline 0 N--CA 1.449 -0.507 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.16 -179.062 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.42 ' O ' HD13 ' A' ' 23' ' ' LEU . 76.0 Cg_exo -49.57 170.06 0.1 Allowed 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.638 2.226 . . . . 0.0 113.095 -179.03 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.453 ' HG3' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -89.71 -8.93 51.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.08 179.489 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.32 -36.34 74.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.157 0.503 . . . . 0.0 110.752 -179.397 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.744 HD21 ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -100.76 11.82 38.76 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.153 179.839 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.679 ' HE3' HD21 ' A' ' 14' ' ' LEU . 66.5 t-105 -51.73 92.54 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.243 179.364 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 161.15 -27.14 0.28 Allowed Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.812 179.868 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -76.6 87.74 3.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.815 0.34 . . . . 0.0 111.133 -179.747 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.832 ' CD1' HG11 ' A' ' 66' ' ' VAL . 28.0 t80 -44.46 -46.98 9.92 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.699 -179.967 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.31 -34.45 67.83 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.953 -179.595 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.593 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -75.43 -55.41 5.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.664 0.269 . . . . 0.0 111.043 -179.727 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.803 ' HA ' HD13 ' A' ' 19' ' ' LEU . 10.1 ptp -56.21 -46.64 79.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.223 -179.789 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -59.92 -34.48 73.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.898 0.38 . . . . 0.0 110.693 179.838 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -60.52 -41.91 95.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.559 179.638 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.421 ' HB1' ' OE1' ' A' ' 37' ' ' GLN . . . -75.53 -41.68 54.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.848 179.677 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.487 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 10.0 t80 -49.3 -48.67 46.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.551 179.644 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.7 mmtt -69.22 -33.03 72.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.676 179.681 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -66.56 -51.68 53.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.95 -179.984 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 13.2 mp0 -74.88 -20.1 59.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.809 0.338 . . . . 0.0 111.326 -179.72 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.4 -28.05 68.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.525 179.415 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.6 mt -77.98 -30.47 50.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.272 -179.845 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.429 ' HG ' ' HA ' ' A' ' 37' ' ' GLN . 1.5 pp -89.67 -17.07 29.08 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.675 0.274 . . . . 0.0 110.961 179.524 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 73.0 mt -94.92 14.81 20.43 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.875 0.369 . . . . 0.0 110.267 178.681 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.557 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 9.1 t-80 -86.76 137.61 33.66 Favored Pre-proline 0 C--N 1.332 -0.173 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.573 -179.863 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.557 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 29.0 Cg_endo -62.67 -9.66 16.87 Favored 'Trans proline' 0 CA--C 1.531 0.331 0 C-N-CA 122.835 2.357 . . . . 0.0 113.257 -179.466 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -90.16 -27.1 19.81 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.691 0.282 . . . . 0.0 111.187 179.913 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt -95.46 31.08 2.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.088 -179.974 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.84 33.4 83.98 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.438 -179.845 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -103.0 -179.47 26.39 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.529 179.936 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.72 ' HB2' HD12 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -90.2 148.13 23.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.332 . . . . 0.0 111.001 -179.972 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -83.21 -45.27 14.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.899 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.91 -18.72 65.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.703 -179.909 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.72 HD12 ' HB2' ' A' ' 48' ' ' SER . 7.4 mt -76.22 -49.13 17.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.762 0.315 . . . . 0.0 111.088 -179.799 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.67 -49.77 56.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.098 -179.909 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.437 ' HA ' ' OD1' ' A' ' 56' ' ' ASN . 0.9 OUTLIER -64.77 -19.63 65.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.993 179.76 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.599 ' O ' HD12 ' A' ' 58' ' ' LEU . 3.3 tt0 -76.17 -29.95 57.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 110.707 179.906 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.487 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 7.3 tp -80.14 -54.38 5.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.332 -179.647 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.437 ' OD1' ' HA ' ' A' ' 53' ' ' GLN . 9.1 p30 -58.36 -45.22 88.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.679 0.276 . . . . 0.0 111.266 -179.46 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.7 t -61.94 -29.48 70.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.813 0.34 . . . . 0.0 110.741 179.826 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.599 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 7.4 mt -88.28 -26.88 22.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.761 179.602 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.524 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 57.7 t-105 -87.84 -15.49 36.64 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.809 179.507 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.475 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -79.21 -61.1 2.41 Favored Glycine 0 C--N 1.336 0.552 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.572 179.041 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.677 HG23 HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -54.85 -50.35 68.88 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 178.425 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.561 ' N ' ' CG2' ' A' ' 61' ' ' THR . 4.5 t80 -44.24 -52.67 7.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 113.519 -1.673 . . . . 0.0 109.363 177.842 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.573 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 1.1 ttmt -53.3 -39.5 64.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.304 -1.317 . . . . 0.0 111.245 179.489 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 41.4 m -47.87 -37.56 14.27 Favored 'General case' 0 CA--C 1.521 -0.138 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 178.995 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -85.71 -31.17 22.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.73 178.375 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.832 HG11 ' CD1' ' A' ' 27' ' ' PHE . 99.0 t . . . . . 0 N--CA 1.456 -0.161 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.154 179.966 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.847 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER . . . . . 0 CA--C 1.522 -0.097 0 CA-C-O 121.385 0.612 . . . . 0.0 112.229 . . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.1 p -90.12 -175.71 4.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.565 -179.934 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.402 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -55.98 -38.63 70.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.007 179.856 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.96 -32.36 73.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.733 -179.475 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.847 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 27.1 m-20 -85.65 -50.45 7.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.144 -179.725 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.551 ' HE2' ' CZ2' ' A' ' 24' ' ' TRP . 0.6 OUTLIER -57.89 -34.66 70.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.91 0.386 . . . . 0.0 110.164 179.659 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -69.57 -31.47 69.67 Favored 'General case' 0 C--O 1.233 0.184 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.702 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.426 ' HB3' ' O ' ' A' ' 9' ' ' ASP . 20.2 ttt180 -61.82 -34.88 76.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.282 178.627 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.719 ' O ' HD23 ' A' ' 17' ' ' LEU . 3.3 tp -68.21 -31.38 70.85 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.562 178.583 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.807 HD22 ' O ' ' A' ' 19' ' ' LEU . 12.4 mt -73.71 -41.62 62.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.86 179.668 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -53.05 -45.28 67.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.689 -179.942 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.444 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -77.71 -17.45 57.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.868 179.707 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.719 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.5 mm? -89.0 -8.97 53.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.976 -179.548 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 53.96 20.05 2.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.302 0.572 . . . . 0.0 110.168 -178.847 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.809 HD13 ' HA ' ' A' ' 30' ' ' MET . 4.1 tt -108.92 109.07 61.06 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.797 -179.199 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.466 ' O ' HD13 ' A' ' 23' ' ' LEU . 78.1 Cg_exo -48.88 165.08 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.795 2.33 . . . . 0.0 113.438 -178.629 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.506 ' HG3' HD12 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -83.9 -3.11 57.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.911 179.342 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -77.67 -33.68 53.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.032 0.444 . . . . 0.0 111.014 -179.022 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.795 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -109.67 20.06 18.51 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.874 179.805 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.67 ' HE3' HD21 ' A' ' 14' ' ' LEU . 58.2 t-105 -53.12 -19.21 2.69 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.672 179.522 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.31 -14.06 79.45 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.798 -0.715 . . . . 0.0 113.262 -179.794 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -81.56 119.76 24.19 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.831 0.316 . . . . 0.0 111.214 -179.705 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.687 ' CE1' HG11 ' A' ' 66' ' ' VAL . 23.9 t80 -79.28 -41.68 27.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.206 -179.924 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.78 -29.13 74.45 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.892 -179.598 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.752 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -79.18 -43.78 23.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.618 0.246 . . . . 0.0 111.41 -179.552 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.809 ' HA ' HD13 ' A' ' 19' ' ' LEU . 18.1 ptp -62.54 -45.78 91.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.264 -179.636 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -66.0 -33.65 76.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.7 0.286 . . . . 0.0 110.779 -179.991 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -42.68 99.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.496 179.641 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.489 ' HB3' ' CD1' ' A' ' 17' ' ' LEU . . . -74.65 -38.01 62.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.895 179.835 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.482 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 9.0 t80 -54.31 -45.41 72.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.638 179.805 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.37 -28.63 62.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.966 -179.872 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -66.76 -45.96 76.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.941 -179.922 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 32.2 mm-40 -78.4 -19.16 53.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.221 179.996 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.7 m -65.7 -28.41 69.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.667 179.505 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.62 -32.14 60.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 -179.866 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.661 HD12 ' HG ' ' A' ' 41' ' ' LEU . 3.6 pp -89.95 -19.04 24.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.193 179.958 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.661 ' HG ' HD12 ' A' ' 40' ' ' LEU . 15.4 mt -94.46 15.09 18.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.615 179.327 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.436 ' ND1' ' HD2' ' A' ' 43' ' ' PRO . 77.7 t60 -89.06 135.11 32.03 Favored Pre-proline 0 N--CA 1.455 -0.217 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.726 -179.86 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.436 ' HD2' ' ND1' ' A' ' 42' ' ' HIS . 82.7 Cg_exo -44.85 -27.25 2.35 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.878 2.385 . . . . 0.0 113.072 -179.879 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -83.18 -22.43 33.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.693 0.282 . . . . 0.0 111.585 -179.474 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.61 31.13 5.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.92 -179.737 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.76 35.43 80.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.424 -179.972 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -98.67 152.3 19.7 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.544 -179.994 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.708 ' HB2' HD13 ' A' ' 51' ' ' LEU . 1.6 m -89.31 158.04 17.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.757 0.313 . . . . 0.0 110.689 179.944 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.465 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 1.9 t60 -75.67 -63.91 1.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.721 -179.975 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.48 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -50.15 -35.15 24.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.276 179.965 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.708 HD13 ' HB2' ' A' ' 48' ' ' SER . 0.2 OUTLIER -65.86 -50.24 65.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.221 -179.761 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 10.3 tpt -65.11 -39.08 92.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.302 -179.593 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 8.7 mm100 -73.26 -33.71 65.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.779 0.323 . . . . 0.0 110.971 -179.901 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.48 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 0.5 OUTLIER -62.7 -40.56 97.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.372 . . . . 0.0 110.776 179.953 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.577 HD11 HD21 ' A' ' 17' ' ' LEU . 11.2 tp -65.34 -43.65 90.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.822 -179.865 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.84 -35.28 79.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.653 179.831 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.64 -38.75 70.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.718 179.881 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.524 HD23 ' CD2' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -78.06 -27.34 48.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.618 179.852 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.599 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 59.8 t-105 -88.91 -23.62 22.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.083 179.827 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.4 -63.66 3.16 Favored Glycine 0 C--N 1.334 0.425 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.936 179.193 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.547 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -52.55 -49.88 64.01 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 179.166 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.547 ' N ' ' CG2' ' A' ' 61' ' ' THR . 4.3 t80 -46.34 -54.97 7.99 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 113.265 -1.789 . . . . 0.0 109.4 177.65 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.615 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 0.1 OUTLIER -51.11 -41.24 59.9 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.279 -1.328 . . . . 0.0 111.113 179.854 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.1 m -49.21 -37.09 21.73 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.79 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -85.65 -30.55 23.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.608 178.083 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.687 HG11 ' CE1' ' A' ' 27' ' ' PHE . 72.9 t . . . . . 0 C--N 1.333 -0.147 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.285 -179.993 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.849 HD13 ' HB3' ' A' ' 10' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.107 0.479 . . . . 0.0 111.822 . . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.1 p -90.06 -173.01 3.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.7 ttp-105 -57.83 -32.87 68.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.282 -179.925 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.87 -38.04 58.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.62 -179.502 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.602 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 2.8 m-20 -76.27 -51.79 11.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.291 -179.609 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.849 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -58.39 -32.29 68.48 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.804 0.335 . . . . 0.0 110.29 179.826 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.438 ' HG2' ' HD2' ' A' ' 10' ' ' LYS . 1.6 mm-40 -66.62 -36.21 82.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.139 0.495 . . . . 0.0 109.699 178.809 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -66.15 -37.21 85.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.899 179.24 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.843 HD12 HD12 ' A' ' 55' ' ' LEU . 2.0 tp -60.82 -31.07 70.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.997 179.009 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.799 HD22 ' O ' ' A' ' 19' ' ' LEU . 12.4 mt -70.47 -37.51 74.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.797 179.665 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -55.31 -49.13 72.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.583 179.779 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mp -72.54 -14.44 61.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.008 179.537 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.764 HD23 ' O ' ' A' ' 13' ' ' LEU . 2.5 mm? -90.14 -10.73 43.47 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.996 -179.771 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.14 19.05 2.64 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.331 0.586 . . . . 0.0 110.011 -178.876 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.818 HD21 HD21 ' A' ' 23' ' ' LEU . 3.5 tt -113.08 111.5 50.51 Favored Pre-proline 0 N--CA 1.45 -0.468 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.69 -179.129 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.432 ' O ' HD13 ' A' ' 23' ' ' LEU . 86.1 Cg_exo -44.49 167.28 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.755 2.303 . . . . 0.0 113.553 -178.745 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.409 ' HA ' ' CD1' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -90.12 -12.16 39.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.203 179.745 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.84 -35.17 74.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.006 -179.354 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.818 HD21 HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -97.63 5.71 49.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.36 179.856 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.491 ' HE3' HD21 ' A' ' 14' ' ' LEU . 44.3 t-105 -47.49 93.53 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.356 179.546 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 162.35 -30.01 0.28 Allowed Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.812 179.889 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -72.57 90.64 1.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.787 0.327 . . . . 0.0 111.047 -179.768 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.677 ' CE1' HG11 ' A' ' 66' ' ' VAL . 16.2 t80 -46.11 -40.34 10.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.754 -179.886 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.51 -38.11 95.26 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.817 -0.706 . . . . 0.0 113.168 -179.467 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.4 mmt85 -79.37 -49.42 12.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.724 0.262 . . . . 0.0 111.676 -179.311 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.607 ' HA ' HD13 ' A' ' 19' ' ' LEU . 15.1 ptp -58.1 -44.33 87.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.681 0.277 . . . . 0.0 111.224 -179.564 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -66.66 -34.82 78.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.724 0.297 . . . . 0.0 110.625 179.858 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.44 -44.4 97.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.208 179.529 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.584 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -71.2 -40.67 71.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.698 179.593 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.439 ' HB2' HD11 ' A' ' 17' ' ' LEU . 10.9 t80 -53.06 -55.5 23.34 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.536 179.668 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.474 ' O ' HD12 ' A' ' 39' ' ' LEU . 6.4 mmtt -63.75 -30.92 71.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.894 179.904 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.35 -34.47 63.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 -179.79 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.501 ' O ' HD12 ' A' ' 41' ' ' LEU . 13.4 mm100 -90.07 -21.12 22.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.385 -179.637 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 93.1 p -69.85 -28.8 65.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.837 0.351 . . . . 0.0 110.813 179.697 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -69.96 -38.44 76.09 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.175 -179.782 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.5 pp -84.15 -10.51 57.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.656 0.265 . . . . 0.0 111.055 179.616 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.52 HD22 ' HB3' ' A' ' 51' ' ' LEU . 9.7 mt -94.31 -8.29 39.41 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.833 0.349 . . . . 0.0 111.307 179.741 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.508 ' ND1' ' HD2' ' A' ' 43' ' ' PRO . 24.8 t60 -66.78 141.57 96.93 Favored Pre-proline 0 CA--C 1.532 0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.249 179.424 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.508 ' HD2' ' ND1' ' A' ' 42' ' ' HIS . 32.9 Cg_endo -65.45 -12.25 34.12 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.65 2.234 . . . . 0.0 113.614 -178.789 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.04 -20.77 23.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.691 0.281 . . . . 0.0 111.179 -179.987 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.473 ' HD3' ' HB3' ' A' ' 42' ' ' HIS . 4.2 mptt -100.93 24.32 9.45 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.726 0.298 . . . . 0.0 110.974 179.881 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 88.5 -17.54 48.12 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.671 -0.776 . . . . 0.0 113.046 179.765 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 43' ' ' PRO . . . -63.72 161.1 36.42 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.532 -179.727 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.403 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -90.35 154.41 19.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.739 0.304 . . . . 0.0 110.913 179.872 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -77.52 -46.94 20.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.796 179.848 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.06 -27.78 34.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.273 179.985 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.52 ' HB3' HD22 ' A' ' 41' ' ' LEU . 3.0 mp -78.85 -52.02 8.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.821 179.91 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 8.8 tpt -58.28 -28.15 64.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.009 179.83 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -71.72 -35.85 70.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.74 179.849 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -64.31 -53.75 43.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.843 HD12 HD12 ' A' ' 13' ' ' LEU . 11.4 tp -52.99 -51.1 62.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.213 -179.956 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -60.15 -33.56 72.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.91 -41.61 42.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.731 179.929 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.587 ' HA ' HD23 ' A' ' 5' ' ' LEU . 3.3 mt -75.82 -26.64 57.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.822 179.942 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.537 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 65.0 t-105 -89.9 -24.66 21.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.129 179.874 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.46 ' HA2' ' NZ ' ' A' ' 63' ' ' LYS . . . -69.16 -64.43 3.0 Favored Glycine 0 C--N 1.335 0.474 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.274 179.522 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.606 ' CG2' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -52.86 -49.59 65.5 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 179.138 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.539 ' N ' ' CG2' ' A' ' 61' ' ' THR . 3.6 t80 -45.33 -51.28 11.3 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 113.46 -1.7 . . . . 0.0 109.401 177.647 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.566 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 0.2 OUTLIER -55.71 -36.92 67.72 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.184 -1.371 . . . . 0.0 111.16 179.704 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 40.1 m -47.76 -38.03 14.64 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 109.165 -0.679 . . . . 0.0 109.165 179.214 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -85.61 -30.74 23.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.926 178.252 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.677 HG11 ' CE1' ' A' ' 27' ' ' PHE . 82.2 t . . . . . 0 N--CA 1.456 -0.136 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.221 -179.927 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.832 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.3 OUTLIER . . . . . 0 N--CA 1.461 0.098 0 CA-C-O 121.376 0.608 . . . . 0.0 112.149 . . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.4 p -90.43 -177.16 5.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.025 -179.166 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 31.4 ttm105 -57.86 -32.75 67.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.508 179.605 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.413 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . . . -70.66 -33.28 70.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.76 -179.672 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.832 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 19.1 m-20 -85.46 -48.67 8.76 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 121.168 -0.213 . . . . 0.0 111.255 -179.517 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.483 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -60.87 -34.0 73.95 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.49 179.835 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.413 ' HG2' ' HA ' ' A' ' 8' ' ' ALA . 0.2 OUTLIER -68.99 -29.37 67.57 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.074 0.464 . . . . 0.0 109.844 178.939 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -67.98 -33.02 73.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.872 178.96 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.746 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.8 tp -66.68 -35.38 80.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.088 179.2 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.813 HD22 ' O ' ' A' ' 19' ' ' LEU . 14.6 mt -69.58 -37.02 76.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.692 179.774 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.88 -44.11 81.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.519 179.738 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.46 ' O ' ' NE2' ' A' ' 37' ' ' GLN . 10.0 mp -80.46 -16.27 54.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.906 179.481 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.803 ' CD2' HD11 ' A' ' 55' ' ' LEU . 2.6 mm? -89.98 -8.64 51.19 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.284 -0.416 . . . . 0.0 112.063 -179.823 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.47 19.89 2.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.301 0.572 . . . . 0.0 109.963 -178.64 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.83 HD13 ' HA ' ' A' ' 30' ' ' MET . 3.6 tt -111.96 108.96 55.2 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.111 -0.95 . . . . 0.0 109.734 -179.416 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.425 ' O ' HD13 ' A' ' 23' ' ' LEU . 73.9 Cg_exo -49.32 169.92 0.1 OUTLIER 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.608 2.206 . . . . 0.0 113.245 -178.794 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.05 -6.56 55.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.009 179.333 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.95 -35.62 66.99 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.125 0.488 . . . . 0.0 110.695 -179.658 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.731 HD21 ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -101.75 10.53 39.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.057 179.7 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.59 ' HE3' HD21 ' A' ' 14' ' ' LEU . 48.8 t-105 -53.18 114.19 1.38 Allowed 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.388 179.743 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 140.58 -24.78 2.62 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.652 -0.785 . . . . 0.0 113.069 179.611 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -76.21 92.28 3.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.828 0.347 . . . . 0.0 111.316 -179.749 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.724 ' CE1' HG11 ' A' ' 66' ' ' VAL . 22.3 t80 -49.18 -32.44 10.31 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.7 179.982 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.94 -38.13 60.27 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.662 -0.78 . . . . 0.0 113.032 -179.578 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.481 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -82.25 -41.14 20.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.715 0.257 . . . . 0.0 111.629 -179.36 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.83 ' HA ' HD13 ' A' ' 19' ' ' LEU . 8.9 ptp -63.46 -46.76 84.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.678 0.275 . . . . 0.0 110.982 -179.753 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.439 ' HG2' ' HE3' ' A' ' 35' ' ' LYS . 38.1 tt0 -65.9 -36.32 83.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.813 0.34 . . . . 0.0 110.586 179.749 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -59.22 -34.93 72.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.072 0.463 . . . . 0.0 110.282 179.451 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.705 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -76.54 -38.71 54.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.505 179.477 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.482 ' HE2' ' HB3' ' A' ' 59' ' ' TRP . 10.8 t80 -56.74 -44.67 81.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.756 179.944 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.439 ' HE3' ' HG2' ' A' ' 31' ' ' GLN . 5.5 mtmt -73.64 -29.74 62.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.771 179.715 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -71.97 -35.11 69.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.46 ' NE2' ' O ' ' A' ' 16' ' ' LEU . 6.7 mm100 -89.26 -19.56 25.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.203 -179.892 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -76.09 -30.97 58.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.598 179.586 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.406 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 0.2 OUTLIER -69.01 -30.92 69.41 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.473 -179.613 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.2 pp -89.85 -17.59 27.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.707 0.289 . . . . 0.0 111.149 -179.954 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 41' ' ' LEU . 20.6 mt -95.17 -2.62 49.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.161 179.553 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.442 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 11.6 t-80 -75.26 141.86 74.48 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 120.711 0.291 . . . . 0.0 110.949 -179.972 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.442 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 70.9 Cg_exo -47.21 -26.9 5.93 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 122.814 2.343 . . . . 0.0 112.668 179.951 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -79.0 -21.29 47.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.396 -179.803 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 39' ' ' LEU . 1.4 mppt? -113.23 30.66 7.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.898 -179.639 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.89 74.87 0.3 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.663 179.996 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -137.78 158.61 24.69 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.464 -179.992 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.737 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.8 OUTLIER -90.06 148.89 22.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.859 0.361 . . . . 0.0 110.978 -179.98 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -69.39 -49.27 56.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.767 179.868 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.13 -24.82 56.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.305 -179.991 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.737 HD13 ' HB2' ' A' ' 48' ' ' SER . 4.4 mp -76.14 -50.11 15.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.957 -179.895 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.479 ' HE2' ' HA ' ' A' ' 52' ' ' MET . 0.0 OUTLIER -67.12 -27.23 67.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.024 -179.953 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -73.25 -36.16 66.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.932 0.396 . . . . 0.0 110.712 179.779 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -55.51 23.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.057 -179.904 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.803 HD11 ' CD2' ' A' ' 17' ' ' LEU . 9.5 tp -55.57 -40.82 72.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.221 -179.702 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.1 -30.76 71.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.857 179.997 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.76 -41.96 25.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.274 -179.82 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.612 ' HB3' ' HB2' ' A' ' 13' ' ' LEU . 74.8 mt -75.31 -31.33 60.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.905 -179.744 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.613 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 62.1 t-105 -88.94 -21.64 23.47 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.45 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.28 -60.74 3.96 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.054 179.573 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.545 HG21 ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -56.79 -49.97 73.75 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 179.25 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.535 ' N ' ' CG2' ' A' ' 61' ' ' THR . 3.6 t80 -43.82 -50.1 7.96 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 113.434 -1.712 . . . . 0.0 109.486 177.758 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.613 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 0.7 OUTLIER -58.16 -39.12 78.02 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.158 -1.383 . . . . 0.0 111.284 179.571 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.418 ' HB ' ' O ' ' A' ' 61' ' ' THR . 76.7 m -47.39 -37.52 11.46 Favored 'General case' 0 CA--C 1.522 -0.117 0 CA-C-O 121.338 0.589 . . . . 0.0 109.411 179.338 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -85.35 -32.12 22.61 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.636 178.287 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.724 HG11 ' CE1' ' A' ' 27' ' ' PHE . 78.9 t . . . . . 0 C--O 1.231 0.115 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.011 179.951 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.795 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.253 0.549 . . . . 0.0 111.9 . . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.9 p -90.17 -171.05 2.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.744 -179.471 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.408 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 20.8 mtm-85 -57.88 -43.77 86.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.829 179.769 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.11 -49.7 76.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.548 -179.587 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.795 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 9.9 m-20 -63.82 -51.44 64.69 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.198 -0.201 . . . . 0.0 110.804 -179.906 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.436 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -60.44 -33.95 73.27 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 179.214 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 7' ' ' ARG . 9.5 mt-10 -69.01 -31.97 71.17 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.441 -0.578 . . . . 0.0 109.441 178.387 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 44.9 ttt85 -67.98 -37.28 81.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.121 179.312 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.764 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.0 tp -64.4 -30.27 71.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.209 179.224 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.756 HD22 ' O ' ' A' ' 19' ' ' LEU . 11.1 mt -70.16 -39.25 75.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.96 179.725 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -56.32 -50.6 70.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 179.905 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.426 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -72.21 -12.94 61.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.159 179.82 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.764 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.4 mm? -90.33 -10.05 45.52 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -179.524 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.402 ' HD3' ' OE1' ' A' ' 37' ' ' GLN . 1.3 mptt 54.39 19.8 2.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.385 0.612 . . . . 0.0 109.99 -178.539 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.876 HD21 HD21 ' A' ' 23' ' ' LEU . 2.7 tt -112.07 111.41 53.32 Favored Pre-proline 0 N--CA 1.448 -0.569 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.712 -179.109 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.441 ' HB2' HD12 ' A' ' 23' ' ' LEU . 87.1 Cg_exo -42.54 165.9 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.814 2.343 . . . . 0.0 113.376 -178.76 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.412 ' HA ' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -90.2 -8.95 49.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.201 179.822 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.46 -33.87 65.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.371 -179.074 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.876 HD21 HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -97.36 9.75 41.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.541 -179.876 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.468 ' HE3' HD21 ' A' ' 14' ' ' LEU . 52.9 t-105 -52.72 109.49 0.41 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.224 179.567 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 141.8 -26.16 2.38 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.722 179.797 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -78.51 91.64 4.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.771 0.32 . . . . 0.0 111.1 -179.673 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.596 ' CE1' HG11 ' A' ' 66' ' ' VAL . 21.5 t80 -46.83 -29.64 2.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.574 -179.889 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -71.46 -37.56 62.43 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.719 -179.803 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 -79.34 -48.08 14.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.723 0.296 . . . . 0.0 111.555 -179.61 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.775 ' HA ' HD13 ' A' ' 19' ' ' LEU . 11.6 ptp -59.67 -49.74 76.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.136 -179.707 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -60.74 -36.74 79.65 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.774 0.321 . . . . 0.0 110.355 179.727 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.441 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.5 OUTLIER -59.35 -45.77 90.45 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.982 0.42 . . . . 0.0 110.08 179.151 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.705 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -68.11 -47.05 69.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.276 179.245 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.525 ' CE2' ' CD1' ' A' ' 59' ' ' TRP . 10.0 t80 -47.43 -48.89 26.31 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.644 179.759 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.34 -29.22 64.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.641 179.666 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -31.85 69.3 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.743 179.901 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.499 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 13.1 mm100 -85.14 -20.72 29.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.205 179.943 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.416 ' O ' ' HB2' ' A' ' 42' ' ' HIS . 5.0 m -63.81 -29.41 70.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.748 0.308 . . . . 0.0 110.773 179.905 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 mt -61.85 -31.81 72.09 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.624 -179.559 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.503 ' HG ' ' HG ' ' A' ' 41' ' ' LEU . 1.6 pp -87.23 -26.65 23.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.721 0.296 . . . . 0.0 110.68 -179.975 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.503 ' HG ' ' HG ' ' A' ' 40' ' ' LEU . 5.2 mt -95.51 1.82 54.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.075 179.351 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' A' ' 38' ' ' SER . 18.3 t-80 -73.48 133.62 80.18 Favored Pre-proline 0 C--N 1.332 -0.195 0 CA-C-O 120.674 0.273 . . . . 0.0 110.774 -179.859 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -46.22 -24.92 2.73 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.942 2.428 . . . . 0.0 112.881 -179.83 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -71.83 -26.54 62.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.039 -179.842 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 45.9 mmtt -117.4 28.86 8.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.943 0.401 . . . . 0.0 110.489 179.641 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 101.2 -91.5 0.95 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.126 -179.741 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.65 133.79 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.915 179.659 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.24 146.17 24.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.78 0.324 . . . . 0.0 110.647 179.736 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -66.16 -24.59 66.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.156 -179.893 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.68 -49.15 7.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.318 -179.914 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.407 ' HB3' HD22 ' A' ' 41' ' ' LEU . 0.4 OUTLIER -55.17 -50.53 69.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.565 -179.621 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.3 tpt -55.05 -44.34 74.61 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.397 -179.542 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -75.8 -30.98 59.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.959 -179.874 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.16 -51.23 64.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.473 HD11 HD21 ' A' ' 17' ' ' LEU . 9.3 tp -62.51 -41.56 98.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.829 -179.908 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -63.62 -25.28 68.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.046 179.975 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.8 t -79.01 -49.16 13.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.355 -179.731 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.479 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 9.0 mt -69.53 -26.23 64.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.107 -179.736 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.595 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 60.2 t-105 -90.44 -23.43 21.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.352 . . . . 0.0 110.142 179.619 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.07 -64.31 2.71 Favored Glycine 0 C--N 1.335 0.486 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.169 179.635 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.536 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -52.11 -49.51 63.48 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 178.919 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.536 ' N ' ' CG2' ' A' ' 61' ' ' THR . 3.2 t80 -45.45 -51.11 11.97 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 113.431 -1.713 . . . . 0.0 109.354 177.462 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.595 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -54.38 -40.93 68.65 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 114.056 -1.429 . . . . 0.0 111.303 179.743 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 54.1 m -45.81 -39.59 8.6 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.194 0.521 . . . . 0.0 109.736 179.362 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -85.43 -31.82 22.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.727 178.632 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.596 HG11 ' CE1' ' A' ' 27' ' ' PHE . 47.5 t . . . . . 0 N--CA 1.457 -0.116 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.146 -179.78 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.78 HD13 ' HB3' ' A' ' 10' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 121.006 0.431 . . . . 0.0 111.6 . . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.7 p -87.38 -172.47 3.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.218 179.697 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.599 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 2.0 ttt-85 -58.07 -34.25 69.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.434 -179.645 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.36 -51.02 26.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.718 0.294 . . . . 0.0 111.584 -179.718 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.717 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 13.2 m-20 -61.06 -50.14 74.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.044 -179.668 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.78 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.4 OUTLIER -60.21 -31.94 70.63 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.397 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.596 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 1.4 tt0 -65.68 -35.65 81.36 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 178.396 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.4 tpp180 -69.72 -28.13 65.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.246 179.349 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.58 ' O ' HD23 ' A' ' 17' ' ' LEU . 1.8 tp -67.44 -32.61 73.58 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.076 179.316 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.673 HD21 ' HE3' ' A' ' 24' ' ' TRP . 20.1 mt -75.29 -37.8 60.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.85 -46.36 74.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.963 179.896 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.506 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 11.1 mp -79.54 -13.22 59.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.909 -179.934 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.796 ' O ' ' HB1' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -90.18 -9.03 49.68 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.674 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.63 19.01 3.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.405 0.621 . . . . 0.0 110.072 -178.51 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.853 HD13 ' HA ' ' A' ' 30' ' ' MET . 4.2 tt -112.89 110.09 52.09 Favored Pre-proline 0 N--CA 1.449 -0.483 0 CA-C-N 115.175 -0.921 . . . . 0.0 109.795 -179.363 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.428 ' O ' HD13 ' A' ' 23' ' ' LEU . 88.3 Cg_exo -46.55 169.39 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.994 2.463 . . . . 0.0 113.713 -178.556 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.57 -10.7 42.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.112 179.519 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -36.37 74.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.747 -179.5 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.79 HD21 HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -98.27 10.72 40.0 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.305 -179.894 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.673 ' HE3' HD21 ' A' ' 14' ' ' LEU . 60.6 t-105 -54.87 92.37 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.024 179.35 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 163.86 -27.98 0.22 Allowed Glycine 0 CA--C 1.518 0.252 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.805 179.991 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.42 ' O ' ' HG2' ' A' ' 30' ' ' MET . 12.8 t0 -78.66 101.64 7.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.635 0.255 . . . . 0.0 111.003 -179.841 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.748 ' CE1' HG11 ' A' ' 66' ' ' VAL . 25.5 t80 -54.24 -32.69 56.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.798 -179.599 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.69 -32.77 63.91 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 120.56 -0.829 . . . . 0.0 113.246 -179.212 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.576 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -82.89 -37.12 24.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.702 0.251 . . . . 0.0 111.653 -179.333 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.853 ' HA ' HD13 ' A' ' 19' ' ' LEU . 19.0 ptp -67.89 -44.81 76.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.626 0.25 . . . . 0.0 110.964 -179.773 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -64.31 -41.74 96.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.923 0.392 . . . . 0.0 110.178 179.525 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -56.04 -33.91 65.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.279 179.338 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.796 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -79.54 -45.05 20.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.379 179.439 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.52 ' N ' HD13 ' A' ' 17' ' ' LEU . 10.8 t80 -55.02 -44.69 74.82 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.639 179.558 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.2 mttm -67.58 -37.98 83.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.087 -179.842 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -60.24 -38.28 82.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.023 -179.654 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 31.1 mm-40 -88.71 -21.8 23.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.261 -179.875 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.1 p -66.03 -33.55 76.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.793 0.33 . . . . 0.0 110.559 179.563 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.1 mt -68.59 -42.35 78.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.817 179.9 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.448 HD21 ' HA ' ' A' ' 37' ' ' GLN . 1.2 pp -81.64 -8.5 59.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.26 179.697 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.67 HD22 ' HB3' ' A' ' 51' ' ' LEU . 22.6 mt -95.24 -0.59 52.89 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 120.609 0.242 . . . . 0.0 111.389 179.723 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -86.22 123.27 71.82 Favored Pre-proline 0 CA--C 1.532 0.275 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.768 -179.708 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.409 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 88.7 Cg_exo -42.36 -21.49 0.18 Allowed 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.833 2.355 . . . . 0.0 113.696 -179.928 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.51 -28.24 41.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.828 0.347 . . . . 0.0 111.065 -179.879 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.5 mmtt -103.97 30.22 5.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.807 179.83 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.2 56.24 7.13 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.601 179.928 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 43' ' ' PRO . . . -136.12 162.63 25.06 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.442 179.983 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.856 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -90.41 159.93 16.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.859 0.362 . . . . 0.0 110.815 179.943 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -81.98 -47.6 12.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.644 179.706 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.434 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -58.77 -24.37 61.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.196 179.944 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.856 HD13 ' HB2' ' A' ' 48' ' ' SER . 0.9 OUTLIER -75.4 -50.83 14.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.333 -179.562 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -43.05 97.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.261 -179.569 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.413 ' CG ' ' HA ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -69.01 -30.29 68.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.123 -179.859 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 4.6 tt0 -61.52 -55.88 26.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.614 179.803 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.455 ' HA ' HD12 ' A' ' 55' ' ' LEU . 9.5 tp -56.38 -36.95 69.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.107 179.988 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -61.39 -29.36 69.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.667 179.873 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.2 t -73.54 -37.72 65.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.958 179.973 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.594 ' HA ' HD23 ' A' ' 5' ' ' LEU . 15.1 mt -83.83 -30.61 26.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.009 -179.974 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.656 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 69.1 t-105 -90.0 -17.87 27.05 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.096 -179.931 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.01 -61.82 2.95 Favored Glycine 0 C--N 1.336 0.54 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.923 179.335 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.556 ' CG2' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -56.56 -50.18 72.66 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 179.005 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.542 ' N ' ' CG2' ' A' ' 61' ' ' THR . 4.7 t80 -44.28 -53.06 7.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 113.545 -1.661 . . . . 0.0 109.221 177.9 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.656 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 2.3 ttmt -54.4 -43.52 71.52 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.383 -1.28 . . . . 0.0 111.091 179.182 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 36.4 m -48.67 -36.88 17.02 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 179.141 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -85.38 -30.86 23.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.668 178.275 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.748 HG11 ' CE1' ' A' ' 27' ' ' PHE . 54.5 t . . . . . 0 C--O 1.231 0.121 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 tpt . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.786 0.327 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -78.28 104.34 8.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -104.29 94.03 5.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.948 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 31.5 m -137.3 124.26 29.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.215 0.531 . . . . 0.0 111.526 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.789 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.3 OUTLIER -89.49 145.92 24.97 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.251 179.528 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 p -90.19 -172.88 3.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.495 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.9 mtt-85 -58.79 -40.88 85.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 110.661 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.14 -39.22 94.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.709 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.789 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 48.1 m-20 -75.83 -52.94 9.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.748 -0.206 . . . . 0.0 111.221 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.511 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -60.4 -34.51 74.04 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.009 0.433 . . . . 0.0 110.42 179.728 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.467 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 7.4 tp10 -67.72 -34.19 76.36 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.991 179.041 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.2 tpt180 -65.33 -32.81 74.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.911 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.741 ' O ' HD13 ' A' ' 17' ' ' LEU . 3.1 tp -65.71 -33.86 76.84 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.917 179.242 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.738 HD22 ' O ' ' A' ' 19' ' ' LEU . 11.4 mt -69.98 -41.37 74.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.318 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.29 -41.35 79.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.087 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.2 mt -79.05 -18.41 53.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.295 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.741 HD13 ' O ' ' A' ' 13' ' ' LEU . 6.9 mp -88.5 -4.33 58.63 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 54.25 19.26 2.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.31 0.576 . . . . 0.0 110.077 -178.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.773 HD13 ' HA ' ' A' ' 30' ' ' MET . 3.5 tt -109.86 110.35 59.12 Favored Pre-proline 0 N--CA 1.45 -0.44 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.939 -179.317 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.436 ' O ' HD13 ' A' ' 23' ' ' LEU . 81.7 Cg_exo -46.83 167.21 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.694 2.262 . . . . 0.0 113.29 -178.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.43 -3.8 57.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.246 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -79.13 -31.4 44.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.993 0.425 . . . . 0.0 111.121 -179.146 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.686 HD21 ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -101.43 10.05 40.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.265 179.786 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.565 ' HE3' HD21 ' A' ' 14' ' ' LEU . 36.2 t-105 -55.69 108.31 0.43 Allowed 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.188 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 148.85 -29.71 1.26 Allowed Glycine 0 C--N 1.333 0.362 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.744 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.431 ' O ' ' HG2' ' A' ' 30' ' ' MET . 19.5 t0 -78.74 92.67 4.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.71 0.29 . . . . 0.0 111.179 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.644 ' CE1' HG11 ' A' ' 66' ' ' VAL . 7.7 t80 -43.94 -43.31 6.45 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.686 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.462 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -57.86 -42.54 94.7 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.858 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -71.5 -52.87 16.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.647 0.26 . . . . 0.0 111.672 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.773 ' HA ' HD13 ' A' ' 19' ' ' LEU . 13.9 ptp -56.69 -47.23 80.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.505 -179.388 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -63.0 -35.92 81.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.895 0.379 . . . . 0.0 110.244 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.462 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.8 OUTLIER -63.91 -37.13 86.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.811 179.03 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.628 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -79.43 -29.31 41.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.053 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.433 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 9.8 t80 -69.04 -41.07 78.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.686 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.14 -52.63 46.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.971 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.495 ' HG2' ' HA ' ' A' ' 33' ' ' ALA . 1.3 pt20 -59.59 -29.76 68.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.723 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.517 ' HG3' ' HA ' ' A' ' 17' ' ' LEU . 95.8 mm-40 -86.62 -23.66 25.62 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.956 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.7 m -77.49 -30.78 53.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.669 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.504 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 5.7 mt -77.77 -24.82 48.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.468 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.567 HD12 ' HG ' ' A' ' 41' ' ' LEU . 4.3 pp -89.98 -18.94 25.09 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.949 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.567 ' HG ' HD12 ' A' ' 40' ' ' LEU . 11.6 mt -94.77 -3.56 48.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.819 0.343 . . . . 0.0 110.782 179.242 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -66.62 134.65 94.35 Favored Pre-proline 0 N--CA 1.455 -0.184 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.858 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_exo -43.89 -48.81 8.81 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.928 2.419 . . . . 0.0 113.364 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.42 -12.79 55.73 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.749 0.278 . . . . 0.0 111.749 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.504 ' HG3' ' O ' ' A' ' 39' ' ' LEU . 5.8 mmtp -112.5 30.93 6.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.37 . . . . 0.0 111.064 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 62.39 90.29 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.61 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -169.74 165.24 38.64 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.425 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.586 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -88.95 154.07 20.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.897 0.38 . . . . 0.0 110.688 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -82.69 -40.51 20.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.42 ' HA ' ' HG2' ' A' ' 53' ' ' GLN . . . -58.71 -21.1 54.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.39 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.586 HD13 ' HB2' ' A' ' 48' ' ' SER . 2.7 mp -83.95 -51.59 7.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.165 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -31.25 69.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.508 -179.523 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.42 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 1.4 pt20 -77.15 -32.71 56.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.867 0.365 . . . . 0.0 111.142 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.523 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -72.53 -36.8 68.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.938 0.399 . . . . 0.0 110.348 179.585 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.635 HD11 HD11 ' A' ' 17' ' ' LEU . 6.1 tp -71.08 -43.25 68.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.533 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.84 -31.13 70.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.705 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.5 p -81.55 -45.22 16.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.798 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.523 HD12 ' O ' ' A' ' 54' ' ' GLU . 2.8 mt -65.13 -27.74 68.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.567 ' HB2' HD11 ' A' ' 13' ' ' LEU . 61.9 t-105 -90.63 -27.12 19.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.183 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.403 ' HA2' ' NZ ' ' A' ' 63' ' ' LYS . . . -68.9 -63.89 3.28 Favored Glycine 0 C--N 1.333 0.401 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.148 179.407 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.535 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -51.9 -49.49 62.92 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 179.084 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.535 ' N ' ' CG2' ' A' ' 61' ' ' THR . 3.1 t80 -44.03 -52.16 7.28 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 113.418 -1.719 . . . . 0.0 109.138 177.402 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.582 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 0.3 OUTLIER -58.68 -37.76 76.75 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.003 -1.453 . . . . 0.0 110.841 179.397 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.481 ' HB ' ' O ' ' A' ' 61' ' ' THR . 54.7 m -49.06 -37.81 22.17 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 109.487 -0.561 . . . . 0.0 109.487 179.083 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -85.12 -30.92 23.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.504 178.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.734 ' HA ' HD23 ' A' ' 69' ' ' LEU . 74.1 t -53.97 -46.69 65.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.717 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.3 -27.32 62.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.977 0.418 . . . . 0.0 110.174 179.193 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -91.0 -27.13 18.85 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.388 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.734 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.4 OUTLIER -62.69 -21.56 65.83 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 120.841 0.353 . . . . 0.0 110.572 -179.517 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -74.73 1.07 13.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.869 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.1 mtt -108.13 -30.11 8.58 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.665 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -83.03 115.6 21.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.954 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.1 mp -136.05 27.43 3.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -146.08 -103.08 0.35 Allowed Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 175.1 -58.61 0.12 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.51 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.4 p -62.94 148.77 46.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.877 0.37 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 169.14 59.59 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.423 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -88.62 110.73 21.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.838 0.351 . . . . 0.0 110.932 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.629 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 mmt . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.859 0.361 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -129.71 -64.91 0.86 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.599 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -146.92 97.46 2.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.836 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.8 m -139.14 120.07 15.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.302 0.573 . . . . 0.0 111.296 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.835 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.3 OUTLIER -68.59 146.83 52.72 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.558 179.551 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.6 p -90.33 -170.32 2.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.933 -178.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.454 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -62.49 -29.43 70.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.899 179.645 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.417 ' N ' ' HG2' ' A' ' 7' ' ' ARG . . . -76.54 -32.64 58.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.282 -179.703 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.835 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 2.9 m-20 -89.77 -47.0 8.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.816 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.684 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -59.91 -28.46 67.6 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.839 0.352 . . . . 0.0 110.756 179.717 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 12' ' ' ARG . 3.2 pt-20 -69.76 -31.4 69.34 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.447 ' N ' ' HG3' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -60.75 -39.42 88.63 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.528 178.887 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.796 ' O ' HD23 ' A' ' 17' ' ' LEU . 4.9 tp -65.12 -35.56 81.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.009 179.479 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.929 HD22 ' O ' ' A' ' 19' ' ' LEU . 10.6 mt -66.87 -40.78 87.95 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.982 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -56.03 -52.67 63.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.5 mt -72.36 -12.45 61.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.994 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.796 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.4 mm? -90.45 -10.45 43.68 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 mptt 52.8 20.32 1.56 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.201 0.524 . . . . 0.0 110.263 -178.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.929 ' O ' HD22 ' A' ' 14' ' ' LEU . 4.9 tt -109.93 112.14 58.13 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.999 -179.264 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.431 ' HB2' HD12 ' A' ' 23' ' ' LEU . 82.8 Cg_exo -46.06 167.03 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.701 2.267 . . . . 0.0 113.396 -178.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.422 ' HG2' HD13 ' A' ' 14' ' ' LEU . 7.2 mtt180 -90.25 -2.51 58.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.313 179.514 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.72 -24.55 31.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.733 -178.513 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.819 ' CD2' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -108.79 10.47 26.65 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.823 179.308 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.546 ' HE3' HD21 ' A' ' 14' ' ' LEU . 44.1 t-105 -56.05 97.58 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.847 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 160.08 -28.88 0.35 Allowed Glycine 0 CA--C 1.517 0.21 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.212 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.42 ' HB3' ' HB2' ' A' ' 29' ' ' ARG . 22.3 t0 -76.53 93.58 3.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.887 0.375 . . . . 0.0 110.91 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.541 ' CE1' HG11 ' A' ' 66' ' ' VAL . 16.5 t80 -46.59 -40.5 12.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.866 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.71 -33.7 87.94 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.826 -0.702 . . . . 0.0 113.476 -179.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.618 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -81.65 -43.74 18.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.82 0.31 . . . . 0.0 111.44 -179.385 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.695 ' HA ' HD13 ' A' ' 19' ' ' LEU . 12.9 ptp -61.39 -47.92 83.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.207 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -66.29 -35.25 79.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.738 0.304 . . . . 0.0 110.58 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.65 -44.04 89.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.04 0.448 . . . . 0.0 110.244 179.432 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.574 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -70.22 -40.38 74.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.891 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.449 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 6.7 t80 -53.24 -48.43 68.22 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.684 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.421 ' HA ' ' OG ' ' A' ' 38' ' ' SER . 4.5 mttp -67.32 -31.61 72.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.081 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -70.28 -38.13 74.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.023 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.746 ' OE1' HD11 ' A' ' 40' ' ' LEU . 1.4 mm-40 -90.2 -23.49 21.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.442 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.421 ' OG ' ' HA ' ' A' ' 35' ' ' LYS . 84.3 p -72.68 -30.88 64.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.845 0.355 . . . . 0.0 110.515 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.412 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 1.0 OUTLIER -73.24 -30.71 63.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.349 -179.643 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.746 HD11 ' OE1' ' A' ' 37' ' ' GLN . 4.6 pp -83.82 -21.16 32.18 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.707 0.289 . . . . 0.0 110.965 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.738 HD22 ' HB3' ' A' ' 51' ' ' LEU . 2.3 mt -95.37 16.57 16.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.802 0.334 . . . . 0.0 110.791 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -85.83 134.65 39.02 Favored Pre-proline 0 N--CA 1.453 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.457 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -43.52 -37.56 7.98 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.708 2.272 . . . . 0.0 112.8 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -64.7 -16.38 62.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.688 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' A' ' 39' ' ' LEU . 35.2 mmtt -111.81 31.04 6.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.787 0.327 . . . . 0.0 111.074 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.65 66.87 2.5 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.595 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -137.66 171.0 23.45 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.367 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.73 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -90.02 151.6 21.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.826 0.346 . . . . 0.0 110.837 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -79.57 -45.17 19.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.425 ' HA ' ' CG ' ' A' ' 53' ' ' GLN . . . -58.68 -24.26 60.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.406 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.738 ' HB3' HD22 ' A' ' 41' ' ' LEU . 4.1 mp -74.08 -59.8 2.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.193 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 10.4 tpt -55.17 -44.12 74.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.365 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.425 ' CG ' ' HA ' ' A' ' 50' ' ' ALA . 1.3 pp0? -67.01 -29.89 69.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.045 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.7 -39.25 93.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.842 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.593 HD12 HD12 ' A' ' 13' ' ' LEU . 16.5 tp -69.18 -34.7 75.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.727 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.34 -30.23 71.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.076 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.25 -30.83 66.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.64 HD22 ' O ' ' A' ' 9' ' ' ASP . 2.3 mt -89.57 -29.32 18.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.05 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.593 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 66.0 t-105 -88.91 -21.41 23.63 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.497 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.23 -60.23 3.63 Favored Glycine 0 C--N 1.334 0.428 0 C-N-CA 121.019 -0.61 . . . . 0.0 111.989 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.609 ' CG2' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -55.05 -49.2 72.18 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 106.829 -1.545 . . . . 0.0 106.829 179.239 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.66 ' O ' ' HG3' ' A' ' 65' ' ' GLU . 5.5 t80 -46.85 -55.25 8.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 113.159 -1.837 . . . . 0.0 109.647 177.751 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.594 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 1.0 OUTLIER -49.22 -37.95 24.73 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.374 179.682 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.435 ' HB ' ' O ' ' A' ' 61' ' ' THR . 85.4 m -54.46 -43.02 71.31 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 178.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.66 ' HG3' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -84.75 -20.63 30.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.31 178.627 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 1.04 ' HA ' HD23 ' A' ' 69' ' ' LEU . 23.2 t -57.13 -40.77 75.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 CA-C-O 121.014 0.435 . . . . 0.0 110.825 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.45 -38.36 84.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.077 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.516 ' ND2' ' HA ' ' A' ' 65' ' ' GLU . 26.0 p30 -87.01 -11.47 50.31 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.804 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 1.04 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -66.38 -40.1 89.51 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.843 0.354 . . . . 0.0 110.76 -179.853 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.4 mtm105 -78.06 1.28 21.55 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.767 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 9.4 mtt -117.73 15.07 14.47 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.178 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -101.41 -73.24 0.66 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.899 0.381 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.5 mt -84.38 87.38 7.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.7 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -136.41 -168.7 11.53 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.355 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 149.63 44.64 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.554 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 68.3 p -74.34 130.96 40.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.786 0.327 . . . . 0.0 110.745 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.44 -54.93 0.95 Allowed Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.327 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -90.24 121.93 32.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.822 0.344 . . . . 0.0 110.764 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.865 179.933 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 mtt . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 120.739 0.304 . . . . 0.0 111.57 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.93 115.26 3.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.026 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -141.72 73.22 1.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.731 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 29.8 m -134.02 125.42 48.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.243 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.799 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER -87.68 145.41 26.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.338 0.589 . . . . 0.0 112.03 179.847 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.0 p -90.77 -167.97 1.96 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.673 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.432 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -62.32 -38.63 90.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.94 179.809 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.97 -48.28 74.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.316 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.799 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 5.8 m-20 -64.32 -55.14 23.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.684 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.479 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -57.93 -32.0 67.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.919 0.39 . . . . 0.0 110.171 179.644 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 13.0 tt0 -69.38 -35.44 75.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.806 178.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -65.68 -36.18 82.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.796 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.654 ' O ' HD23 ' A' ' 17' ' ' LEU . 1.8 tp -64.07 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.006 179.052 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.693 HD22 ' O ' ' A' ' 19' ' ' LEU . 12.5 mt -69.9 -42.46 73.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.352 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.93 -46.54 74.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.6 -13.55 60.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.852 179.604 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.694 ' O ' ' HB1' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -89.93 -7.73 53.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.82 -179.787 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.55 19.44 3.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.399 0.619 . . . . 0.0 109.656 -178.345 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.929 HD13 ' HA ' ' A' ' 30' ' ' MET . 6.0 tt -113.23 110.96 50.43 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.856 -179.115 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.464 ' O ' HD13 ' A' ' 23' ' ' LEU . 73.9 Cg_exo -50.08 166.83 0.25 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.645 2.23 . . . . 0.0 113.214 -178.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.78 -3.29 58.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.394 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -79.03 -32.67 45.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.075 0.464 . . . . 0.0 111.149 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.669 HD22 ' C ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -102.75 10.92 38.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.201 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.639 ' HE3' HD21 ' A' ' 14' ' ' LEU . 25.0 t-105 -55.01 105.81 0.18 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.98 0.419 . . . . 0.0 110.858 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 151.6 -27.22 0.95 Allowed Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.444 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -80.42 94.01 6.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.516 0.198 . . . . 0.0 111.026 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.551 ' CE1' HG11 ' A' ' 66' ' ' VAL . 19.8 t80 -47.48 -41.73 21.31 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.883 0.373 . . . . 0.0 111.377 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.478 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -60.01 -33.23 78.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.542 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.29 -49.37 10.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.645 0.259 . . . . 0.0 111.395 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.929 ' HA ' HD13 ' A' ' 19' ' ' LEU . 15.1 ptp -61.77 -49.12 77.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.524 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -62.94 -39.65 95.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.786 0.327 . . . . 0.0 110.259 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.478 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.5 OUTLIER -61.31 -32.41 72.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.903 179.213 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.694 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -81.28 -43.19 19.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.293 179.283 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.533 ' HB2' HD11 ' A' ' 17' ' ' LEU . 17.1 t80 -53.38 -48.78 68.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.79 179.544 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.48 -32.47 70.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.771 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.02 -41.83 98.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.708 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.435 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 77.5 mm-40 -86.25 -18.38 32.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.101 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.4 m -72.18 -38.34 69.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.435 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.42 ' O ' ' HD3' ' A' ' 45' ' ' LYS . 4.3 mt -62.73 -33.05 74.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.158 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 4.1 pp -87.92 -15.89 35.38 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.919 -0.313 . . . . 0.0 110.879 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 45.0 mt -95.34 7.94 44.67 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 120.7 0.286 . . . . 0.0 111.026 178.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.458 ' ND1' ' HD2' ' A' ' 43' ' ' PRO . 16.1 t60 -87.27 133.62 38.24 Favored Pre-proline 0 N--CA 1.455 -0.209 0 CA-C-O 120.711 0.291 . . . . 0.0 110.992 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.458 ' HD2' ' ND1' ' A' ' 42' ' ' HIS . 81.2 Cg_exo -46.14 -30.56 7.73 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.087 2.525 . . . . 0.0 112.837 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -70.01 -11.9 61.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.285 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.471 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 2.5 mptp? -123.56 29.71 6.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.909 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.3 67.04 2.2 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.604 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -137.12 169.15 24.09 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.521 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.732 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -90.02 145.21 25.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.788 0.328 . . . . 0.0 110.911 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.413 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 1.1 t60 -76.6 -46.66 25.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.711 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.38 -32.67 64.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.354 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.732 HD13 ' HB2' ' A' ' 48' ' ' SER . 0.7 OUTLIER -66.97 -49.41 65.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.02 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -27.23 68.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.233 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 12.4 mm100 -78.57 -40.89 33.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.653 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -63.68 -45.21 91.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.713 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.513 HD12 HD12 ' A' ' 13' ' ' LEU . 13.4 tp -58.84 -47.28 85.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.08 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -57.21 -27.7 62.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.046 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.0 m -71.13 -43.88 66.7 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.041 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.529 HD23 HD23 ' A' ' 5' ' ' LEU . 9.7 mt -75.95 -28.83 58.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.775 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.587 ' HB2' HD11 ' A' ' 13' ' ' LEU . 68.9 t-105 -89.44 -18.05 27.53 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.425 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.1 -63.06 2.47 Favored Glycine 0 C--N 1.334 0.431 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.885 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.539 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -55.3 -49.94 70.84 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 178.92 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.539 ' N ' ' CG2' ' A' ' 61' ' ' THR . 4.0 t80 -44.16 -49.5 9.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 113.517 -1.674 . . . . 0.0 109.467 178.261 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.583 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 2.8 ttmt -57.38 -39.72 76.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.308 -1.315 . . . . 0.0 111.495 179.54 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 61' ' ' THR . 95.6 m -49.22 -38.18 25.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.333 0.587 . . . . 0.0 109.476 179.418 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -84.35 -30.22 25.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.463 178.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.91 ' HA ' HD23 ' A' ' 69' ' ' LEU . 50.7 t -53.25 -46.79 57.14 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.015 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -55.88 -26.77 48.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.073 0.463 . . . . 0.0 110.319 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -90.76 -24.11 20.46 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.412 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.91 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.7 OUTLIER -69.67 -22.12 63.47 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.756 0.312 . . . . 0.0 111.045 -179.734 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -79.17 1.1 25.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.104 0.478 . . . . 0.0 111.327 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 27.6 mmm -110.73 -57.42 2.23 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.824 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -60.02 99.42 0.07 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.165 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.9 mt -87.16 87.34 7.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.716 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.25 -165.55 15.92 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.519 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -157.46 -164.35 13.67 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.402 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 23.5 m -77.84 131.21 37.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.791 0.329 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.7 21.93 3.46 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.679 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.425 ' HD1' ' O ' ' A' ' 79' ' ' GLN . 34.8 p90 -71.97 157.59 37.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.9 0.381 . . . . 0.0 110.878 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.425 ' O ' ' HD1' ' A' ' 78' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.168 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.066 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.778 0.323 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.11 -174.02 0.23 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.89 79.7 2.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.96 0.409 . . . . 0.0 110.726 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.429 ' O ' HG23 ' A' ' 4' ' ' VAL . 25.3 m -139.11 117.89 12.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.931 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.784 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER -78.54 140.46 38.53 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.585 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 p -85.73 179.37 7.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.058 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 43.4 ttm-85 -50.83 -39.14 52.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.24 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.29 -48.9 68.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.601 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.784 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 5.5 m-20 -63.19 -57.09 11.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.034 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.687 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -55.65 -33.43 64.05 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.008 0.433 . . . . 0.0 110.034 179.605 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.415 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 10.8 tt0 -69.6 -33.92 73.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.317 178.359 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.556 ' O ' HD12 ' A' ' 16' ' ' LEU . 40.5 ttt85 -66.1 -37.31 85.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.726 178.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.598 HD12 HD12 ' A' ' 55' ' ' LEU . 1.8 tp -60.18 -36.77 78.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.945 179.209 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.899 HD12 ' HG3' ' A' ' 21' ' ' ARG . 10.5 mt -68.0 -37.03 80.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.662 179.555 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.3 -38.53 68.77 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.961 0.41 . . . . 0.0 110.419 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.556 HD12 ' O ' ' A' ' 12' ' ' ARG . 1.4 mp -84.38 -19.02 34.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.745 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.677 ' CD2' HD11 ' A' ' 55' ' ' LEU . 1.2 mm? -89.22 -6.42 56.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.93 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 mptt 56.03 19.2 3.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.366 0.603 . . . . 0.0 109.818 -178.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.773 HD13 ' HA ' ' A' ' 30' ' ' MET . 4.6 tt -112.1 107.27 55.94 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.136 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.448 ' O ' HD13 ' A' ' 23' ' ' LEU . 64.3 Cg_exo -51.89 168.34 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.881 2.387 . . . . 0.0 113.766 -178.691 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.899 ' HG3' HD12 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -84.96 -6.24 59.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.132 179.388 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -76.61 -31.79 57.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.464 -178.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.698 HD21 ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -107.96 12.98 26.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.167 179.846 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.541 ' HE3' HD11 ' A' ' 14' ' ' LEU . 30.8 t-105 -55.38 106.21 0.22 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.117 179.406 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 150.04 -24.32 1.14 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.692 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -78.84 85.08 4.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.761 0.315 . . . . 0.0 110.972 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.661 ' CE1' HG11 ' A' ' 66' ' ' VAL . 14.2 t80 -44.57 -40.12 5.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.963 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.06 -40.41 97.04 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.787 -0.72 . . . . 0.0 113.209 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.23 -50.65 12.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.683 0.241 . . . . 0.0 111.586 -179.326 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.773 ' HA ' HD13 ' A' ' 19' ' ' LEU . 15.4 ptp -57.69 -45.42 85.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.595 0.236 . . . . 0.0 111.099 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -62.61 -38.9 92.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.962 0.41 . . . . 0.0 109.947 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -63.25 -33.19 74.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.776 179.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.435 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -80.3 -41.0 25.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.371 179.413 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.491 ' HB2' HD11 ' A' ' 17' ' ' LEU . 11.9 t80 -54.32 -42.86 70.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.984 0.421 . . . . 0.0 110.371 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.414 ' HA ' ' HB2' ' A' ' 38' ' ' SER . 0.7 OUTLIER -76.33 -37.55 57.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.53 179.783 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -60.62 -37.69 82.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.344 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.548 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 17.5 mm100 -87.37 -20.96 25.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.941 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.414 ' HB2' ' HA ' ' A' ' 35' ' ' LYS . 1.5 m -66.69 -27.15 67.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.851 0.358 . . . . 0.0 110.582 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.03 -31.39 62.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.209 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 4.4 pp -89.43 -15.21 33.7 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.101 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.695 HD22 ' HB3' ' A' ' 51' ' ' LEU . 87.9 mt -92.24 5.47 50.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.627 0.251 . . . . 0.0 111.269 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -87.8 135.93 33.24 Favored Pre-proline 0 C--N 1.331 -0.198 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -58.03 -2.92 0.95 Allowed 'Trans proline' 0 CA--C 1.532 0.403 0 C-N-CA 122.79 2.326 . . . . 0.0 113.436 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.01 -25.39 20.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.723 0.297 . . . . 0.0 110.944 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -105.59 30.91 5.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.722 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.06 32.81 85.41 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.556 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -95.51 174.84 32.47 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.576 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.689 ' HB2' HD13 ' A' ' 51' ' ' LEU . 2.0 m -90.05 149.03 22.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.746 0.308 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 35.3 t-80 -83.23 -39.25 21.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.475 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -66.17 -27.51 68.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.419 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.695 ' HB3' HD22 ' A' ' 41' ' ' LEU . 0.5 OUTLIER -73.56 -51.28 17.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.735 0.302 . . . . 0.0 111.115 -179.851 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.12 -48.0 68.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.459 -179.539 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -69.08 -31.12 69.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.215 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.475 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 16.1 tt0 -63.86 -50.86 67.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.775 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.677 HD11 ' CD2' ' A' ' 17' ' ' LEU . 9.9 tp -56.44 -37.8 70.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.079 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -65.91 -29.83 70.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.8 t -78.69 -35.84 44.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.143 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.565 ' HB3' HD13 ' A' ' 13' ' ' LEU . 1.4 mt -83.89 -30.96 25.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.118 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.649 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 73.5 t-105 -85.3 -15.7 42.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.542 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.88 -65.21 2.0 Allowed Glycine 0 C--N 1.333 0.398 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.401 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.539 ' CG2' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -55.15 -49.52 71.61 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 179.451 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.523 ' N ' ' CG2' ' A' ' 61' ' ' THR . 3.0 t80 -44.16 -53.14 6.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 113.564 -1.653 . . . . 0.0 109.488 178.101 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.649 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 2.4 ttmt -53.71 -41.78 67.33 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.265 -1.334 . . . . 0.0 111.142 179.245 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 28.2 m -48.3 -37.11 15.59 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -85.54 -31.25 22.81 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.635 178.22 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.893 ' HA ' HD23 ' A' ' 69' ' ' LEU . 89.1 t -57.01 -58.01 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.196 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -49.33 -33.83 14.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.83 0.348 . . . . 0.0 110.967 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -90.64 -21.13 21.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.646 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.893 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -58.62 -32.66 69.23 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 120.789 0.328 . . . . 0.0 110.803 -179.269 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.424 ' NH1' ' CD2' ' A' ' 27' ' ' PHE . 46.1 mtm-85 -78.3 0.98 23.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.669 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.0 mtt -120.27 -49.97 2.26 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.433 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -63.39 148.76 47.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.808 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.22 -67.18 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.806 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.37 170.38 44.77 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.479 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 153.77 -23.46 0.72 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.725 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 30.7 p -62.28 144.76 55.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.337 . . . . 0.0 110.943 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 173.67 -50.19 0.15 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.375 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -79.69 137.9 37.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.745 0.307 . . . . 0.0 110.705 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.96 -179.89 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.2 mtt . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 120.852 0.358 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -67.72 -169.07 0.11 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.815 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -91.62 88.76 6.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.905 0.383 . . . . 0.0 110.771 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.7 m -80.95 137.76 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.701 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.7 ' HB2' ' HB3' ' A' ' 9' ' ' ASP . 1.4 pt? -90.69 124.87 35.43 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.102 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.8 p -64.12 179.11 0.58 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.643 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.408 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 1.6 ttt180 -59.24 -33.47 71.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.28 -29.68 64.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.629 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.7 ' HB3' ' HB2' ' A' ' 5' ' ' LEU . 8.8 m-20 -69.23 -57.98 4.64 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.56 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.527 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -50.0 -42.09 48.4 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.811 0.339 . . . . 0.0 110.448 179.756 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 7' ' ' ARG . 53.1 mt-10 -67.74 -35.43 78.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.138 179.062 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.67 -38.84 67.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.859 179.312 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.556 ' O ' HD13 ' A' ' 17' ' ' LEU . 1.6 tp -61.05 -27.5 68.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.87 178.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.694 HD21 ' HE3' ' A' ' 24' ' ' TRP . 12.3 mt -75.33 -51.71 12.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.849 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -52.12 -24.71 7.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.181 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.467 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 3.5 mt -89.0 -30.74 18.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.24 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.691 HD11 HD11 ' A' ' 55' ' ' LEU . 7.3 mp -82.16 1.92 33.98 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.3 mttt 53.94 19.66 2.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.368 0.604 . . . . 0.0 110.062 -178.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.74 HD13 ' HA ' ' A' ' 30' ' ' MET . 5.5 tt -109.36 111.21 59.93 Favored Pre-proline 0 N--CA 1.451 -0.425 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.951 -179.218 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.438 ' O ' HD13 ' A' ' 23' ' ' LEU . 73.0 Cg_exo -49.6 168.83 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.873 2.382 . . . . 0.0 113.736 -178.639 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.33 -3.09 57.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.233 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -79.57 -29.24 41.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.082 0.468 . . . . 0.0 110.896 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.728 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -107.72 14.85 25.17 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.952 179.898 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.694 ' HE3' HD21 ' A' ' 14' ' ' LEU . 35.9 t-105 -58.24 89.04 0.01 OUTLIER 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.037 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 166.18 -29.5 0.19 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.749 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -76.72 88.65 3.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.902 0.382 . . . . 0.0 111.097 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.767 ' CD1' HG11 ' A' ' 66' ' ' VAL . 4.7 t80 -46.09 -38.44 8.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.926 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.51 -34.89 90.81 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.834 -0.698 . . . . 0.0 113.042 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -79.83 -42.83 23.53 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 122.789 -0.242 . . . . 0.0 111.489 -179.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.74 ' HA ' HD13 ' A' ' 19' ' ' LEU . 10.7 ptp -69.59 -39.19 77.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.616 0.246 . . . . 0.0 111.198 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -64.24 -37.83 88.87 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -63.71 -40.38 96.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.987 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.7 -32.51 62.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.414 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.508 ' CE2' ' CG ' ' A' ' 59' ' ' TRP . 11.8 t80 -65.89 -40.87 91.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.484 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.45 -38.52 91.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.81 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -74.45 -48.25 28.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.477 ' HG2' ' HA ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -60.13 -27.48 67.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.94 179.813 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.1 m -70.88 -30.4 66.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.533 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.469 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 9.9 mt -70.15 -31.82 69.5 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.795 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.456 HD12 ' N ' ' A' ' 41' ' ' LEU . 3.9 pp -88.76 -17.61 29.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.998 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.456 ' N ' HD12 ' A' ' 40' ' ' LEU . 3.3 mt -95.6 -1.43 50.36 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.364 179.498 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -75.93 121.07 84.32 Favored Pre-proline 0 CA--C 1.529 0.172 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.096 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -42.64 -26.01 0.57 Allowed 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.811 2.34 . . . . 0.0 113.151 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.53 -11.86 54.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.526 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 39' ' ' LEU . 30.1 mmtt -117.51 31.04 6.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.795 0.331 . . . . 0.0 110.902 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.66 21.59 79.52 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.6 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -91.73 170.18 33.34 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.419 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.744 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -90.21 155.43 19.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.864 0.364 . . . . 0.0 110.909 -179.88 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -83.23 -50.96 7.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.79 -24.76 37.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.307 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.744 HD13 ' HB2' ' A' ' 48' ' ' SER . 0.8 OUTLIER -77.46 -49.88 13.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.906 0.384 . . . . 0.0 111.272 -179.76 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 7.8 tpt -61.31 -52.02 66.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.366 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -61.49 -31.47 71.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.908 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.437 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -63.09 -48.91 76.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.104 0.478 . . . . 0.0 110.391 179.602 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.691 HD11 HD11 ' A' ' 17' ' ' LEU . 3.1 tp -66.79 -37.27 84.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.03 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -62.27 -43.3 99.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.71 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.9 m -74.01 -30.58 62.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.794 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.538 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 1.4 mt -79.77 -22.53 43.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.916 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.565 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 64.4 t-105 -89.13 -17.57 28.95 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.106 179.616 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.452 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -81.11 -58.07 2.69 Favored Glycine 0 C--N 1.334 0.422 0 C-N-CA 120.875 -0.679 . . . . 0.0 111.807 178.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.516 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -57.56 -48.58 78.94 Favored 'General case' 0 CA--C 1.515 -0.394 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 178.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.516 ' N ' ' CG2' ' A' ' 61' ' ' THR . 2.8 t80 -46.35 -57.47 4.59 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 113.695 -1.593 . . . . 0.0 109.412 177.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.565 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 3.2 ttmt -48.05 -46.06 32.94 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.298 -1.319 . . . . 0.0 111.413 179.419 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 92.1 m -50.75 -35.28 30.81 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.429 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 0.8 OUTLIER -84.9 -30.94 23.98 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.187 178.067 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.972 ' HA ' HD23 ' A' ' 69' ' ' LEU . 77.8 t -55.18 -42.56 66.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.343 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -64.34 -36.84 85.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.702 0.287 . . . . 0.0 111.131 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.429 ' ND2' ' HA ' ' A' ' 65' ' ' GLU . 19.0 p30 -89.15 -12.38 41.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.654 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.972 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -64.92 -38.52 91.23 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 121.01 0.433 . . . . 0.0 110.263 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -74.96 1.05 13.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.862 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 27.6 mtp -115.94 -57.5 2.21 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.674 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -63.16 138.25 58.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.637 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.9 tt -128.19 -63.16 1.01 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -148.5 -141.01 3.41 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.53 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -156.74 -86.67 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.7 t -74.16 140.37 45.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.766 0.317 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 133.85 -27.5 3.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.437 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -70.42 168.02 16.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.89 0.376 . . . . 0.0 110.949 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 mtt . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 120.936 0.398 . . . . 0.0 111.385 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -79.53 117.76 20.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.069 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.15 106.78 3.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.671 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 19.2 m -82.26 124.24 39.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.407 0.622 . . . . 0.0 111.387 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.792 HD13 ' HB3' ' A' ' 10' ' ' LYS . 0.6 OUTLIER -90.62 143.29 26.88 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.709 -179.918 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.7 p -83.39 -171.3 3.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.295 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.436 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . 2.5 ptm180 -60.23 -36.68 78.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.641 0.257 . . . . 0.0 111.333 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.3 -48.35 61.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.777 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.747 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 4.9 m-20 -63.15 -47.65 81.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.289 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.792 ' HB3' HD13 ' A' ' 5' ' ' LEU . 9.3 pttp -59.93 -33.23 71.62 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.068 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.425 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 1.1 mt-10 -68.73 -36.19 78.1 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.581 178.342 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -64.52 -31.16 72.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.229 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.754 ' O ' HD23 ' A' ' 17' ' ' LEU . 3.6 tp -63.76 -41.66 97.94 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 121.2 0.524 . . . . 0.0 109.713 179.117 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.645 HD21 ' HE3' ' A' ' 24' ' ' TRP . 14.9 mt -62.72 -40.8 98.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.283 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -52.1 -53.26 44.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.872 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.489 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 0.6 OUTLIER -74.96 -11.23 60.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.614 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.754 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.3 mm? -90.47 -8.96 49.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.87 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 54.05 20.08 2.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.248 0.547 . . . . 0.0 110.103 -178.59 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.826 HD13 ' HA ' ' A' ' 30' ' ' MET . 4.1 tt -110.04 109.95 58.88 Favored Pre-proline 0 N--CA 1.451 -0.423 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.017 -179.224 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -49.41 170.73 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.033 2.489 . . . . 0.0 114.128 -178.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.526 ' HG2' ' CD1' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -90.13 -3.41 57.91 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.502 179.73 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -82.88 -26.67 31.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.883 0.373 . . . . 0.0 111.284 -178.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.761 ' CD2' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -109.89 12.21 23.94 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.458 -179.791 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.645 ' HE3' HD21 ' A' ' 14' ' ' LEU . 54.8 t-105 -52.31 101.15 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.989 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.75 -26.46 0.83 Allowed Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.782 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.425 ' O ' ' HG2' ' A' ' 30' ' ' MET . 15.0 t70 -76.69 91.73 3.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.668 0.271 . . . . 0.0 111.156 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.846 ' CD1' HG11 ' A' ' 66' ' ' VAL . 20.7 t80 -49.6 -34.58 18.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.796 -179.683 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.9 -36.9 91.75 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.828 -0.701 . . . . 0.0 113.487 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.73 -34.31 30.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.92 0.36 . . . . 0.0 111.867 -179.126 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.826 ' HA ' HD13 ' A' ' 19' ' ' LEU . 17.5 ptp -71.68 -45.98 60.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.551 0.215 . . . . 0.0 111.011 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -64.89 -37.76 88.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.944 0.402 . . . . 0.0 109.933 179.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.481 ' O ' ' HB2' ' A' ' 36' ' ' GLN . 2.5 mt-30 -61.85 -28.51 69.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.939 179.072 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.598 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -85.91 -43.66 13.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.616 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.486 ' CD2' ' CG ' ' A' ' 59' ' ' TRP . 9.1 t80 -51.62 -42.43 61.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.609 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.42 -39.14 47.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.733 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.481 ' HB2' ' O ' ' A' ' 32' ' ' GLN . 0.1 OUTLIER -61.5 -42.75 99.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.434 179.707 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 2.3 mp0 -81.12 -21.34 39.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.723 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.6 m -62.73 -26.24 68.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.921 0.391 . . . . 0.0 110.383 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 23.6 mt -70.44 -46.89 62.97 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.55 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.0 pp -68.94 -20.02 64.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.703 0.287 . . . . 0.0 110.859 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.401 HD22 HD22 ' A' ' 51' ' ' LEU . 61.1 mt -95.57 7.33 46.55 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.338 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.415 ' ND1' ' HD2' ' A' ' 43' ' ' PRO . 51.0 t-80 -89.98 136.72 28.7 Favored Pre-proline 0 CA--C 1.531 0.232 0 CA-C-O 120.689 0.281 . . . . 0.0 110.425 179.479 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.415 ' HD2' ' ND1' ' A' ' 42' ' ' HIS . 73.5 Cg_exo -47.89 -12.91 0.17 Allowed 'Trans proline' 0 CA--C 1.533 0.429 0 C-N-CA 123.042 2.495 . . . . 0.0 113.904 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.84 -23.3 22.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.786 0.327 . . . . 0.0 111.012 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.5 mptt -115.63 29.22 8.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.776 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.2 62.97 3.84 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.438 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -124.49 153.78 17.77 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.799 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.679 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -90.24 157.2 17.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.748 0.308 . . . . 0.0 111.008 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -79.26 -51.31 9.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.54 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.9 -25.39 7.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.504 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.679 HD13 ' HB2' ' A' ' 48' ' ' SER . 2.5 mp -78.79 -51.95 9.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -30.07 69.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.004 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -77.09 -45.61 26.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.615 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.33 -41.64 93.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.578 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.461 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 7.5 tp -60.76 -51.45 69.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.389 179.637 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.02 -31.09 64.78 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.177 179.055 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 m -74.87 -49.72 19.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.131 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.502 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 5.0 mt -73.9 -25.66 60.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.404 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.563 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 60.0 t-105 -89.93 -17.68 27.51 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.425 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -77.94 -61.9 2.45 Favored Glycine 0 C--N 1.336 0.546 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.088 179.265 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.542 ' CG2' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -55.34 -50.07 70.59 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 179.194 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.538 ' N ' ' CG2' ' A' ' 61' ' ' THR . 7.0 t80 -43.82 -54.45 5.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 113.391 -1.732 . . . . 0.0 109.458 177.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.563 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 3.0 ttmt -51.15 -42.68 60.93 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.359 -1.291 . . . . 0.0 111.036 179.374 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 61' ' ' THR . 63.2 m -50.65 -35.79 32.39 Favored 'General case' 0 CA--C 1.521 -0.173 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.564 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -85.37 -29.0 24.8 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.59 178.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.889 ' HA ' HD23 ' A' ' 69' ' ' LEU . 71.9 t -58.98 -43.4 88.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.33 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -60.94 -37.97 84.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.72 0.295 . . . . 0.0 110.766 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -90.43 -12.97 35.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 112.076 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.889 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -65.26 -28.05 69.07 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.189 -179.876 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.401 ' HA ' ' CD1' ' A' ' 73' ' ' LEU . 40.1 mtt-85 -73.1 0.76 10.62 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.723 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.6 -24.86 10.74 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.676 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -92.67 37.62 1.01 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.886 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.401 ' CD1' ' HA ' ' A' ' 70' ' ' ARG . 0.2 OUTLIER -90.58 14.6 12.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.268 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -137.19 -134.21 3.24 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.574 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.28 30.8 3.25 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.731 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 10.7 t -64.45 147.46 52.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.843 0.354 . . . . 0.0 110.761 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -101.04 -66.69 0.8 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.741 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -100.18 113.87 26.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.952 0.406 . . . . 0.0 111.207 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.15 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.2 mtt . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.766 0.317 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.07 146.18 48.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.836 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -100.33 77.9 1.99 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.027 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.9 m -131.65 128.41 60.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.162 0.506 . . . . 0.0 111.017 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.797 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.0 pt? -88.47 146.12 25.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.009 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.5 p -88.19 -171.11 3.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.263 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.422 ' HG2' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -62.41 -32.9 73.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.778 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.422 ' N ' ' HG2' ' A' ' 7' ' ' ARG . . . -68.98 -33.86 74.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.312 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.797 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 3.3 m-20 -69.47 -56.94 5.96 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.109 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.5 ' HD3' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -60.09 -45.3 93.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.48 -179.398 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.5 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -63.63 -29.94 71.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.776 0.322 . . . . 0.0 110.941 -179.783 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.657 HH21 HD21 ' A' ' 16' ' ' LEU . 6.4 tpt180 -78.8 -34.43 45.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.04 0.448 . . . . 0.0 110.026 179.406 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.632 HD12 HD12 ' A' ' 55' ' ' LEU . 1.9 tp -66.2 -32.59 74.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.945 179.095 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.893 HD22 ' O ' ' A' ' 19' ' ' LEU . 12.8 mt -69.57 -35.32 75.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.53 179.578 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -58.34 -46.24 86.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.445 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.657 HD21 HH21 ' A' ' 12' ' ' ARG . 22.5 mt -76.23 -16.3 59.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.816 179.284 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.774 ' CD2' HD11 ' A' ' 55' ' ' LEU . 1.1 mm? -90.17 -9.94 46.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.587 -179.447 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.29 22.38 1.37 Allowed 'General case' 0 C--O 1.231 0.098 0 CA-C-O 121.37 0.605 . . . . 0.0 109.955 -178.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.893 ' O ' HD22 ' A' ' 14' ' ' LEU . 3.9 tt -112.78 111.7 51.19 Favored Pre-proline 0 N--CA 1.449 -0.496 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.776 -178.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.426 ' O ' HD13 ' A' ' 23' ' ' LEU . 80.5 Cg_exo -45.41 166.55 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.71 2.273 . . . . 0.0 113.432 -178.652 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.476 ' HG2' HD12 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -89.02 -3.15 58.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.169 179.591 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.77 -31.3 46.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.031 0.443 . . . . 0.0 111.012 -179.206 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.797 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -106.91 19.49 20.39 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.659 179.829 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.609 ' HE3' HD21 ' A' ' 14' ' ' LEU . 66.3 t-105 -55.2 -17.55 4.55 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.655 179.433 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.33 -19.8 68.32 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.715 -0.755 . . . . 0.0 113.198 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -83.72 126.21 32.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.878 0.371 . . . . 0.0 111.021 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.605 ' CE1' HG11 ' A' ' 66' ' ' VAL . 27.1 t80 -82.52 -40.31 21.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.042 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.01 -28.92 73.51 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.756 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.542 ' HB3' HD11 ' A' ' 19' ' ' LEU . 32.5 mmt180 -74.94 -50.2 17.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.89 0.376 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.854 ' HA ' HD13 ' A' ' 19' ' ' LEU . 12.5 ptp -59.23 -48.23 82.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.101 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -60.04 -36.08 76.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.839 0.352 . . . . 0.0 110.809 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -60.53 -42.44 96.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.509 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.54 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -77.49 -39.95 44.59 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.677 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.452 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 9.6 t80 -49.47 -46.74 48.44 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.864 0.364 . . . . 0.0 110.617 179.384 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -75.57 -30.21 59.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.814 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.13 -30.94 63.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.669 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.506 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 43.4 mm-40 -90.03 -19.46 24.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.092 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.5 p -69.61 -27.59 65.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.652 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.409 ' O ' ' HE3' ' A' ' 45' ' ' LYS . 0.7 OUTLIER -75.43 -30.04 59.9 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.336 -179.79 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.8 pp -89.78 -18.74 25.74 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 121.093 -0.243 . . . . 0.0 110.97 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.1 mt -94.49 12.44 27.28 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.753 0.311 . . . . 0.0 110.691 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.532 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 12.4 t-80 -83.78 136.13 42.2 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.391 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.532 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 19.6 Cg_endo -58.9 -15.21 25.94 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.679 2.253 . . . . 0.0 112.942 -179.429 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -86.47 -21.66 26.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.645 0.26 . . . . 0.0 110.994 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.475 ' HD3' ' N ' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -103.77 30.74 4.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.661 -179.861 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 62.96 47.6 87.46 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.564 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -115.98 168.23 12.63 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.415 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.521 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -90.07 141.39 28.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.798 0.332 . . . . 0.0 110.715 179.882 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.459 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 34.8 p80 -74.25 -38.8 63.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.817 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.408 ' HA ' ' HG2' ' A' ' 53' ' ' GLN . . . -57.04 -25.22 58.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.591 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.521 HD13 ' HB2' ' A' ' 48' ' ' SER . 1.4 mp -79.78 -50.05 11.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.199 -179.581 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.8 tpt -60.58 -44.63 96.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.222 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 2.3 pt20 -64.02 -25.1 67.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.075 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -79.84 -43.07 23.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.01 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.774 HD11 ' CD2' ' A' ' 17' ' ' LEU . 10.2 tp -56.43 -49.96 73.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.183 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -61.84 -31.8 72.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.871 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.4 t -80.17 -35.11 36.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.947 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.599 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 16.6 mt -83.74 -24.14 31.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.083 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.605 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 67.7 t-105 -89.99 -24.99 21.09 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.54 -61.76 3.49 Favored Glycine 0 C--N 1.335 0.476 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.17 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.684 HG23 HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -53.11 -47.07 68.91 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 178.883 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.535 ' HB2' ' O ' ' A' ' 58' ' ' LEU . 2.2 t80 -48.84 -52.48 23.92 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 113.0 -1.909 . . . . 0.0 109.33 177.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.605 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -55.75 -37.77 68.95 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.315 -1.311 . . . . 0.0 111.156 179.675 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.2 m -47.2 -39.4 13.87 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.274 0.559 . . . . 0.0 109.654 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -85.54 -30.27 23.52 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.787 178.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.983 ' HA ' HD23 ' A' ' 69' ' ' LEU . 66.9 t -54.15 -41.33 50.67 Favored 'Isoleucine or valine' 0 C--O 1.231 0.117 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.084 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -64.06 -30.76 71.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.95 0.405 . . . . 0.0 110.544 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -90.62 -22.0 21.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.454 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.983 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -59.52 -32.54 70.4 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.585 0.231 . . . . 0.0 110.833 -179.483 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 56.1 mtp85 -72.48 0.81 9.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.951 0.405 . . . . 0.0 111.845 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 33.2 mtt -124.34 -62.34 1.27 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.558 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -71.29 137.88 48.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.23 -36.19 5.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.46 37.43 3.77 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.527 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -108.95 -103.92 2.87 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.574 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 71.4 p -90.08 14.93 11.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.485 0.183 . . . . 0.0 111.269 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.92 -61.3 4.33 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -82.08 151.83 26.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.82 0.343 . . . . 0.0 111.018 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.767 179.89 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.732 0.301 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -106.12 15.1 26.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.36 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 29.0 mtm180 -110.01 81.76 1.49 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.26 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.5 m -135.27 127.15 46.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.018 0.437 . . . . 0.0 111.37 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.776 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.6 pt? -83.6 148.77 26.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 p -90.08 -179.44 5.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.487 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 58.0 ttp85 -52.99 -35.62 59.47 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.656 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.82 -43.57 95.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.234 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.776 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 1.2 m-20 -69.56 -55.4 10.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.588 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.466 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -54.04 -42.71 69.49 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.757 0.313 . . . . 0.0 110.657 -179.33 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.456 ' HG2' ' HD3' ' A' ' 10' ' ' LYS . 4.9 mm-40 -67.74 -28.22 67.45 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.458 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.61 -48.13 42.16 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.523 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.554 ' O ' HD23 ' A' ' 17' ' ' LEU . 1.4 tp -58.44 -32.34 68.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.32 179.56 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.652 HD21 ' HE3' ' A' ' 24' ' ' TRP . 13.5 mt -66.01 -42.27 89.9 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.154 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -58.58 -37.92 76.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.1 0.476 . . . . 0.0 110.605 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.422 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 9.6 mp -81.98 -17.52 46.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.018 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.554 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.1 mm? -90.21 -5.87 55.91 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? 55.31 19.77 3.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.446 0.641 . . . . 0.0 109.74 -178.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.79 HD21 ' CD2' ' A' ' 23' ' ' LEU . 4.4 tt -111.23 110.74 56.01 Favored Pre-proline 0 N--CA 1.45 -0.453 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.486 -179.422 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.426 ' HB2' HD12 ' A' ' 23' ' ' LEU . 80.2 Cg_exo -45.95 167.74 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.836 2.357 . . . . 0.0 113.645 -178.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.482 ' HG3' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -90.22 -2.88 58.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.48 179.853 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -82.57 -29.59 30.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.788 0.328 . . . . 0.0 111.492 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.79 ' CD2' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -104.48 14.44 30.04 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.297 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.652 ' HE3' HD21 ' A' ' 14' ' ' LEU . 53.3 t-105 -52.94 97.96 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.192 179.414 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 157.13 -24.82 0.47 Allowed Glycine 0 C--N 1.332 0.321 0 C-N-CA 120.618 -0.801 . . . . 0.0 113.002 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -75.05 91.94 2.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.64 0.257 . . . . 0.0 111.203 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.791 ' CE1' HG11 ' A' ' 66' ' ' VAL . 29.2 t80 -51.58 -33.34 32.23 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.388 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.461 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -67.13 -35.82 89.36 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.62 -0.8 . . . . 0.0 113.0 -179.531 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -79.49 -46.02 18.23 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.687 0.255 . . . . 0.0 111.687 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.447 ' CG ' ' HA ' ' A' ' 27' ' ' PHE . 18.2 ptp -60.37 -47.19 87.12 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.339 -179.497 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -64.71 -35.08 79.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.757 0.313 . . . . 0.0 110.36 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.461 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -65.56 -41.74 92.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.123 0.487 . . . . 0.0 110.046 179.152 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.468 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -73.02 -41.49 64.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.604 179.548 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.466 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 9.0 t80 -49.43 -43.65 44.87 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.783 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.0 -36.05 61.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -66.2 -35.17 79.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.717 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.422 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 96.6 mm-40 -89.11 -20.7 23.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.164 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.07 -31.47 69.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.578 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.3 mt -70.73 -39.82 73.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.936 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 pp -84.56 -11.98 55.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.302 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.666 HD22 ' HB3' ' A' ' 51' ' ' LEU . 29.7 mt -93.42 -3.94 52.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.211 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.483 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 9.3 t-80 -82.84 130.37 58.2 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.723 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.483 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 86.1 Cg_exo -45.38 -28.6 4.01 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.926 2.417 . . . . 0.0 113.381 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.15 -11.02 60.18 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.239 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.463 ' HE2' ' HB3' ' A' ' 42' ' ' HIS . 0.1 OUTLIER -119.67 31.36 6.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.798 0.332 . . . . 0.0 110.867 -179.798 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.33 57.02 11.09 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.49 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -133.2 173.12 21.2 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.44 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.22 151.02 21.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.919 0.39 . . . . 0.0 111.035 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 63.8 t60 -83.13 -26.7 30.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.071 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.1 -26.64 53.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.457 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.666 ' HB3' HD22 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -77.14 -49.13 15.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.873 -179.824 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -46.79 85.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.015 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -33.52 76.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.823 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -69.19 -35.76 76.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.611 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.521 HD22 ' CD1' ' A' ' 41' ' ' LEU . 13.2 tp -58.68 -51.11 71.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.325 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -61.59 -35.82 78.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.178 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.2 p -73.55 -37.37 65.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.042 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.613 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 13.3 mt -81.15 -26.16 36.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.215 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.604 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 62.0 t-105 -90.05 -26.4 20.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.974 0.416 . . . . 0.0 110.021 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.47 -67.35 1.98 Allowed Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.044 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.54 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -49.9 -50.1 47.25 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 179.068 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.54 ' N ' ' CG2' ' A' ' 61' ' ' THR . 3.8 t80 -45.6 -50.85 12.85 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 113.6 -1.636 . . . . 0.0 109.203 177.602 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.604 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -56.33 -35.65 67.84 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 114.019 -1.446 . . . . 0.0 110.884 179.398 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.8 m -48.06 -39.46 20.1 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 121.338 0.59 . . . . 0.0 109.546 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -84.96 -30.95 23.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.706 178.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.946 ' HA ' HD23 ' A' ' 69' ' ' LEU . 77.5 t -54.59 -40.77 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.179 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -64.73 -29.68 70.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.567 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -90.8 -23.32 20.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.499 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.946 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -58.75 -38.69 78.98 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.895 0.379 . . . . 0.0 110.632 -179.576 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 70' ' ' ARG . 22.5 mtp85 -82.74 1.23 39.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.111 0.481 . . . . 0.0 111.505 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 14.9 mtt -109.26 -30.39 8.03 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.84 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -93.13 -71.9 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.061 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 24.7 tp -94.78 -70.8 0.69 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 122.9 -131.4 8.22 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.64 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -111.98 57.65 0.42 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.644 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.7 p -117.41 -37.15 3.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.771 0.32 . . . . 0.0 110.955 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 61.88 25.4 65.83 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.564 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -86.84 128.09 35.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.741 0.305 . . . . 0.0 110.892 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.879 179.769 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 120.759 0.314 . . . . 0.0 111.283 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -79.32 112.45 16.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.788 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -138.59 67.63 1.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.1 m -137.91 126.72 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.065 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.694 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.5 OUTLIER -85.17 140.77 30.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.75 179.835 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.6 p -88.9 -167.17 1.8 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.12 -179.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.536 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 14.5 mtt-85 -60.62 -37.9 82.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.204 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.22 -52.54 33.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.312 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.694 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 33.5 m-20 -59.48 -49.78 76.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.848 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -60.91 -34.64 74.98 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.362 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.536 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -65.54 -37.87 87.98 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.62 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -64.56 -33.72 76.57 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.152 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.766 HD12 HD12 ' A' ' 55' ' ' LEU . 3.3 tp -61.6 -43.38 98.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.332 179.42 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.712 HD22 HD23 ' A' ' 19' ' ' LEU . 15.3 mt -64.19 -40.67 96.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.81 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -55.63 -32.84 63.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.936 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -84.94 -20.53 30.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.861 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.749 ' CD1' HD11 ' A' ' 55' ' ' LEU . 8.8 mp -85.51 -5.32 59.3 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.799 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 53.12 19.98 1.62 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.19 0.519 . . . . 0.0 110.321 -179.04 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 1.061 HD21 HD21 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -111.01 124.95 31.62 Favored Pre-proline 0 N--CA 1.448 -0.558 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.782 -179.15 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.44 ' HB2' HD12 ' A' ' 23' ' ' LEU . 71.2 Cg_exo -45.48 164.43 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.756 2.304 . . . . 0.0 113.698 -178.43 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.57 ' HA ' HD13 ' A' ' 14' ' ' LEU . 6.4 ptt85 -90.68 -15.52 30.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.973 179.111 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -65.34 -36.22 83.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.77 -179.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.061 HD21 HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -90.81 4.59 51.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.735 -179.435 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.544 ' CE3' HD11 ' A' ' 14' ' ' LEU . 62.9 t-105 -51.59 100.69 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.419 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 153.94 -36.37 0.72 Allowed Glycine 0 C--N 1.332 0.354 0 C-N-CA 120.523 -0.846 . . . . 0.0 113.281 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.451 ' O ' ' HG2' ' A' ' 30' ' ' MET . 5.4 t70 -83.75 96.16 8.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.728 0.264 . . . . 0.0 111.615 -179.399 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.858 ' CD1' HG11 ' A' ' 66' ' ' VAL . 3.0 t80 -42.71 -44.61 4.4 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.639 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.82 -41.73 91.3 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.913 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.3 mtm-85 -77.91 -51.71 10.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.692 0.282 . . . . 0.0 111.309 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.546 ' HA ' HD13 ' A' ' 19' ' ' LEU . 13.9 ptp -59.23 -40.96 87.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.93 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -67.68 -32.81 73.73 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.916 0.389 . . . . 0.0 110.208 179.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -34.34 71.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.004 179.122 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.604 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -78.43 -46.4 19.9 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.526 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.43 ' CE2' ' CB ' ' A' ' 59' ' ' TRP . 4.8 t80 -54.59 -47.9 72.78 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.341 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -61.44 -40.97 96.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.731 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -76.42 -23.22 53.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.02 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.529 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -89.78 -22.86 21.93 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.904 0.383 . . . . 0.0 110.837 179.811 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 83.0 p -71.35 -29.18 64.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.877 0.37 . . . . 0.0 110.247 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.98 -32.57 74.13 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.093 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.8 pp -89.32 -16.86 30.1 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.703 0.287 . . . . 0.0 111.006 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.712 HD22 ' HB3' ' A' ' 51' ' ' LEU . 43.5 mt -94.33 0.93 55.88 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 120.87 0.367 . . . . 0.0 110.958 179.359 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.535 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 19.1 t-80 -88.48 142.43 31.2 Favored Pre-proline 0 CA--C 1.532 0.269 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.225 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.535 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 30.8 Cg_endo -64.94 -5.87 11.6 Favored 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 122.702 2.268 . . . . 0.0 113.638 -179.088 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -88.95 -21.58 23.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.767 0.318 . . . . 0.0 110.866 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -109.58 29.36 7.65 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.651 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.66 41.43 64.69 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.492 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -115.79 163.51 12.31 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.554 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.12 146.3 24.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.85 0.357 . . . . 0.0 110.999 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.407 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -78.62 -21.65 48.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.214 -179.469 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -74.32 -27.15 60.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.859 0.361 . . . . 0.0 111.12 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.712 ' HB3' HD22 ' A' ' 41' ' ' LEU . 1.9 mp -78.34 -51.22 10.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.933 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -40.29 71.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.342 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.428 ' HG3' ' N ' ' A' ' 54' ' ' GLU . 10.1 pt20 -74.23 -36.13 63.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.232 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -62.84 -50.75 69.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.909 0.385 . . . . 0.0 110.889 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.766 HD12 HD12 ' A' ' 13' ' ' LEU . 17.3 tp -62.57 -37.83 87.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.942 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.93 -37.28 79.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.774 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.11 -30.2 68.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.831 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.51 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 0.9 OUTLIER -86.01 -26.63 25.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.026 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.637 ' HB2' HD11 ' A' ' 13' ' ' LEU . 69.9 t-105 -90.13 -19.15 24.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.278 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.13 -62.66 2.56 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.918 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.591 ' CG2' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -54.46 -49.82 69.17 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 178.919 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.53 ' N ' ' CG2' ' A' ' 61' ' ' THR . 6.5 t80 -44.41 -54.26 6.06 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 113.497 -1.683 . . . . 0.0 109.111 177.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.585 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 1.4 ttmt -54.37 -44.66 72.41 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.311 -1.313 . . . . 0.0 110.745 178.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.44 ' HB ' ' O ' ' A' ' 61' ' ' THR . 87.3 m -49.91 -35.28 23.2 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 178.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -85.37 -30.12 23.89 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.694 178.093 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.933 ' HA ' HD23 ' A' ' 69' ' ' LEU . 58.1 t -55.71 -41.3 64.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.274 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -65.5 -40.1 92.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.258 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 27.8 p30 -87.35 -11.67 48.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.676 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.933 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -60.58 -38.29 84.14 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.923 0.392 . . . . 0.0 110.516 179.791 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 42.4 mtt85 -81.1 1.23 32.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.755 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.35 -39.95 3.74 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.815 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 -61.11 136.38 58.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.11 -66.75 1.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -130.63 -50.74 0.11 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.74 55.38 0.74 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.527 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.2 m -85.47 106.19 16.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.758 0.313 . . . . 0.0 110.857 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 136.19 -71.25 0.48 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.481 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -75.74 144.2 41.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.761 0.315 . . . . 0.0 110.916 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.795 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 120.759 0.314 . . . . 0.0 111.283 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -79.32 112.45 16.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.788 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -138.59 67.63 1.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.1 m -137.91 126.72 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.065 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.694 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.5 OUTLIER -85.17 140.77 30.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.75 179.835 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.6 p -88.9 -167.17 1.8 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.12 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.536 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 14.5 mtt-85 -60.62 -37.9 82.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.204 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.22 -52.54 33.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.312 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.694 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 33.5 m-20 -59.48 -49.78 76.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.848 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -60.91 -34.64 74.98 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.362 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.536 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -65.54 -37.87 87.98 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.62 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -64.56 -33.72 76.57 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.152 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.766 HD12 HD12 ' A' ' 55' ' ' LEU . 3.3 tp -61.6 -43.38 98.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.332 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.712 HD22 HD23 ' A' ' 19' ' ' LEU . 15.3 mt -64.19 -40.67 96.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.81 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -55.63 -32.84 63.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.936 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -84.94 -20.53 30.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.861 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.749 ' CD1' HD11 ' A' ' 55' ' ' LEU . 8.8 mp -85.51 -5.32 59.3 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.799 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 53.12 19.98 1.62 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.19 0.519 . . . . 0.0 110.321 -179.04 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 1.061 HD21 HD21 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -111.01 124.95 31.62 Favored Pre-proline 0 N--CA 1.448 -0.558 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.782 -179.15 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.44 ' HB2' HD12 ' A' ' 23' ' ' LEU . 71.2 Cg_exo -45.48 164.43 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.756 2.304 . . . . 0.0 113.698 -178.43 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.57 ' HA ' HD13 ' A' ' 14' ' ' LEU . 6.4 ptt85 -90.68 -15.52 30.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.973 179.111 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -65.34 -36.22 83.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.77 -179.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.061 HD21 HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -90.81 4.59 51.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.735 -179.435 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.544 ' CE3' HD11 ' A' ' 14' ' ' LEU . 62.9 t-105 -51.59 100.69 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.419 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 153.94 -36.37 0.72 Allowed Glycine 0 C--N 1.332 0.354 0 C-N-CA 120.523 -0.846 . . . . 0.0 113.281 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.451 ' O ' ' HG2' ' A' ' 30' ' ' MET . 5.4 t70 -83.75 96.16 8.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.728 0.264 . . . . 0.0 111.615 -179.399 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.858 ' CD1' HG11 ' A' ' 66' ' ' VAL . 3.0 t80 -42.71 -44.61 4.4 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.639 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.82 -41.73 91.3 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.913 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.3 mtm-85 -77.91 -51.71 10.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.692 0.282 . . . . 0.0 111.309 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.546 ' HA ' HD13 ' A' ' 19' ' ' LEU . 13.9 ptp -59.23 -40.96 87.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.93 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -67.68 -32.81 73.73 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.916 0.389 . . . . 0.0 110.208 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -34.34 71.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.004 179.122 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.604 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -78.43 -46.4 19.9 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.526 179.345 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.43 ' CE2' ' CB ' ' A' ' 59' ' ' TRP . 4.8 t80 -54.59 -47.9 72.78 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.341 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -61.44 -40.97 96.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.731 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -76.42 -23.22 53.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.02 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.529 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -89.78 -22.86 21.93 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.904 0.383 . . . . 0.0 110.837 179.811 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 83.0 p -71.35 -29.18 64.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.877 0.37 . . . . 0.0 110.247 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.98 -32.57 74.13 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.093 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.8 pp -89.32 -16.86 30.1 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.703 0.287 . . . . 0.0 111.006 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.712 HD22 ' HB3' ' A' ' 51' ' ' LEU . 43.5 mt -94.33 0.93 55.88 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 120.87 0.367 . . . . 0.0 110.958 179.359 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.535 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 19.1 t-80 -88.48 142.43 31.2 Favored Pre-proline 0 CA--C 1.532 0.269 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.225 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.535 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 30.8 Cg_endo -64.94 -5.87 11.6 Favored 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 122.702 2.268 . . . . 0.0 113.638 -179.088 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -88.95 -21.58 23.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.767 0.318 . . . . 0.0 110.866 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -109.58 29.36 7.65 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.651 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.66 41.43 64.69 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.492 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -115.79 163.51 12.31 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.554 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.12 146.3 24.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.85 0.357 . . . . 0.0 110.999 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.407 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -78.62 -21.65 48.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.214 -179.469 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -74.32 -27.15 60.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.859 0.361 . . . . 0.0 111.12 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.712 ' HB3' HD22 ' A' ' 41' ' ' LEU . 1.9 mp -78.34 -51.22 10.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.933 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -40.29 71.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.342 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.428 ' HG3' ' N ' ' A' ' 54' ' ' GLU . 10.1 pt20 -74.23 -36.13 63.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.232 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -62.84 -50.75 69.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.909 0.385 . . . . 0.0 110.889 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.766 HD12 HD12 ' A' ' 13' ' ' LEU . 17.3 tp -62.57 -37.83 87.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.942 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.93 -37.28 79.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.774 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.11 -30.2 68.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.831 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.51 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 0.9 OUTLIER -86.01 -26.63 25.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.026 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.637 ' HB2' HD11 ' A' ' 13' ' ' LEU . 69.9 t-105 -90.13 -19.15 24.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.278 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.13 -62.66 2.56 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.918 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.591 ' CG2' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -54.46 -49.82 69.17 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 178.919 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.53 ' N ' ' CG2' ' A' ' 61' ' ' THR . 6.5 t80 -44.41 -54.26 6.06 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 113.497 -1.683 . . . . 0.0 109.111 177.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.585 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 1.4 ttmt -54.37 -44.66 72.41 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.311 -1.313 . . . . 0.0 110.745 178.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.44 ' HB ' ' O ' ' A' ' 61' ' ' THR . 87.3 m -49.91 -35.28 23.2 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 178.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -85.37 -30.12 23.89 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.694 178.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.933 ' HA ' HD23 ' A' ' 69' ' ' LEU . 58.1 t -55.71 -41.3 64.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.274 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -65.5 -40.1 92.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.258 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 27.8 p30 -87.35 -11.67 48.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.676 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.933 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -60.58 -38.29 84.14 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.923 0.392 . . . . 0.0 110.516 179.791 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 42.4 mtt85 -81.1 1.23 32.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.755 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.35 -39.95 3.74 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.815 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 -61.11 136.38 58.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.11 -66.75 1.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -130.63 -50.74 0.11 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.74 55.38 0.74 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.527 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.2 m -85.47 106.19 16.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.758 0.313 . . . . 0.0 110.857 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 136.19 -71.25 0.48 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.481 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -75.74 144.2 41.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.761 0.315 . . . . 0.0 110.916 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.795 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 120.577 0.227 . . . . 0.0 110.76 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -62.5 123.18 17.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.801 0.334 . . . . 0.0 110.475 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.2 mmt85 -129.32 74.56 1.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.277 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 29.3 m -119.24 133.36 66.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.057 0.456 . . . . 0.0 110.883 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.848 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.1 pt? -90.05 147.23 23.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.125 -179.64 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.3 p -90.11 -172.79 3.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.598 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.418 ' HG2' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -59.28 -31.27 68.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.151 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.418 ' N ' ' HG2' ' A' ' 7' ' ' ARG . . . -71.5 -37.76 71.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.273 -179.65 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.848 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 92.8 m-20 -66.63 -59.35 3.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.187 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.63 ' N ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -59.55 -38.4 80.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.913 0.387 . . . . 0.0 110.256 -179.896 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 4.7 tt0 -64.02 -40.82 97.18 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.976 178.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -39.25 80.35 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.363 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.67 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.9 tp -63.16 -33.47 75.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.297 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.879 HD22 ' O ' ' A' ' 19' ' ' LEU . 12.7 mt -69.31 -38.84 78.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.067 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 75.6 mm-40 -55.59 -46.44 77.28 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.004 0.431 . . . . 0.0 110.542 179.634 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.484 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 5.0 mt -76.12 -15.96 59.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.929 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.67 HD23 ' O ' ' A' ' 13' ' ' LEU . 2.0 mm? -90.36 -9.55 47.27 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.39 20.25 1.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.319 0.581 . . . . 0.0 110.001 -178.67 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.879 ' O ' HD22 ' A' ' 14' ' ' LEU . 3.3 tt -110.49 110.61 57.75 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.947 -179.067 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.423 ' O ' HD13 ' A' ' 23' ' ' LEU . 88.8 Cg_exo -46.38 167.05 0.07 OUTLIER 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.689 2.259 . . . . 0.0 113.313 -178.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.58 ' HG3' HD13 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -89.97 -3.34 58.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.101 179.393 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -78.1 -33.28 50.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.036 0.446 . . . . 0.0 110.995 -179.305 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.758 ' CD2' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -102.69 11.7 37.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.267 179.903 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.613 ' HE3' HD21 ' A' ' 14' ' ' LEU . 43.9 t-105 -55.68 92.5 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.085 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 167.25 -31.73 0.19 Allowed Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.524 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -73.76 94.91 2.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.697 0.284 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.6 ' CE1' HG11 ' A' ' 66' ' ' VAL . 71.1 t80 -52.56 -31.43 35.85 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.536 -179.603 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.15 -38.23 82.72 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.774 -0.727 . . . . 0.0 113.275 -179.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 60.1 mtt-85 -80.3 -37.17 33.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.745 0.272 . . . . 0.0 111.718 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.766 ' HA ' HD13 ' A' ' 19' ' ' LEU . 10.3 ptp -65.11 -47.61 76.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.584 0.231 . . . . 0.0 110.814 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.43 ' N ' ' HG3' ' A' ' 30' ' ' MET . 24.1 tt0 -63.13 -38.35 90.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.896 0.379 . . . . 0.0 110.734 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -58.98 -31.91 69.18 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.378 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.517 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -82.6 -40.28 21.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.836 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.446 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 12.6 t80 -57.07 -48.83 77.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.605 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 35.2 mtpt -64.86 -40.56 95.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.817 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -60.52 -48.46 81.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.747 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.565 ' HA ' HD21 ' A' ' 40' ' ' LEU . 98.5 mm-40 -79.78 -18.14 51.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.142 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.1 -29.99 68.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.994 0.426 . . . . 0.0 110.0 179.12 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.35 -41.39 80.76 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.752 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.565 HD21 ' HA ' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -79.64 -10.56 59.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.124 179.835 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.461 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 7.5 mt -95.31 -1.71 50.78 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 120.651 0.263 . . . . 0.0 111.355 179.46 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 8.9 t-80 -79.91 142.21 55.97 Favored Pre-proline 0 CA--C 1.53 0.195 0 CA-C-N 116.543 -0.298 . . . . 0.0 110.507 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 18.2 Cg_endo -61.95 -12.36 25.63 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.753 2.302 . . . . 0.0 113.932 -178.732 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -88.46 -23.07 23.36 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.992 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.424 ' HD3' ' HB3' ' A' ' 42' ' ' HIS . 3.0 mptp? -103.71 27.65 7.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.771 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 75.66 26.73 64.51 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.654 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -89.32 160.43 29.35 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.375 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.04 156.25 18.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.747 0.308 . . . . 0.0 110.862 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.442 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 12.2 m170 -83.12 -40.67 19.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.959 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.95 -28.56 67.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.242 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.461 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 7.5 mt -75.05 -51.51 13.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.057 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.52 ' O ' ' HB2' ' A' ' 56' ' ' ASN . 8.3 tpt -50.77 -27.69 7.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.376 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 4.2 mm-40 -83.03 -36.53 24.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.799 0.333 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -58.93 -54.81 42.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.067 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.612 HD12 HD12 ' A' ' 13' ' ' LEU . 16.1 tp -65.8 -38.9 90.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.182 -179.696 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.52 ' HB2' ' O ' ' A' ' 52' ' ' MET . 1.9 t-20 -63.6 -44.88 92.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.911 0.386 . . . . 0.0 110.812 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.84 -27.64 66.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.739 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.561 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 10.9 mt -80.82 -28.48 36.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.087 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.552 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 69.5 t-105 -87.03 -24.24 24.7 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.434 ' HA2' ' NZ ' ' A' ' 63' ' ' LYS . . . -69.91 -64.85 2.75 Favored Glycine 0 C--N 1.334 0.437 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.287 179.162 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.626 HG23 HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -52.18 -46.58 65.59 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 179.169 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.528 ' HB2' ' O ' ' A' ' 58' ' ' LEU . 2.7 t80 -49.88 -51.98 36.34 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 113.195 -1.821 . . . . 0.0 109.4 177.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.585 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 0.3 OUTLIER -52.08 -41.01 62.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.3 -1.318 . . . . 0.0 110.988 179.636 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 61' ' ' THR . 85.6 m -50.45 -37.71 39.67 Favored 'General case' 0 CA--C 1.522 -0.126 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -84.08 -31.27 25.41 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.391 178.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.678 ' HA ' HD23 ' A' ' 69' ' ' LEU . 53.9 t -52.63 -48.89 47.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.573 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -53.82 -27.04 27.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.964 0.411 . . . . 0.0 110.258 179.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -90.96 -26.86 19.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.189 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.688 ' C ' HD12 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -72.81 -10.38 59.74 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.436 -179.698 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.453 ' HG2' ' O ' ' A' ' 66' ' ' VAL . 5.4 mmt85 -68.51 0.91 3.5 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.941 0.401 . . . . 0.0 112.02 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.3 mtt -111.87 -47.72 3.12 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.817 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -77.41 139.28 39.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.988 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.08 23.73 7.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.992 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 143.72 168.76 12.4 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.474 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -157.78 -141.29 3.12 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.726 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.1 m -68.11 151.19 47.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 111.136 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -134.9 -57.56 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.424 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.43 147.7 41.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.841 0.353 . . . . 0.0 110.753 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.108 -179.882 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 120.764 0.316 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.43 163.46 2.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.517 179.687 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.493 ' HB3' ' OG1' ' A' ' 61' ' ' THR . 0.1 OUTLIER -145.65 90.85 2.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.867 0.365 . . . . 0.0 111.155 -179.623 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 24.9 m -125.97 127.82 71.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.171 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.836 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.1 pt? -90.24 144.31 25.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.113 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.0 p -89.33 -174.66 4.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.071 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -56.94 -36.75 70.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.182 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.0 -37.81 88.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.836 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 26.0 m-20 -69.15 -58.1 4.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.561 ' N ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -57.92 -39.74 78.71 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.764 0.316 . . . . 0.0 110.574 -179.656 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.443 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 2.0 mm-40 -61.55 -42.22 98.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.383 179.349 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.578 ' HE ' HD21 ' A' ' 16' ' ' LEU . 11.5 tpt180 -70.37 -29.08 65.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.252 179.368 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.653 ' O ' HD23 ' A' ' 17' ' ' LEU . 4.1 tp -69.7 -34.01 73.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.073 179.128 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.812 HD22 ' O ' ' A' ' 19' ' ' LEU . 15.4 mt -74.78 -41.4 60.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.828 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -56.14 -37.64 69.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.692 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.578 HD21 ' HE ' ' A' ' 12' ' ' ARG . 3.4 mm? -85.63 -19.27 31.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.527 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.653 HD23 ' O ' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -88.03 -8.04 56.16 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.711 -179.63 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.8 mptt 54.15 19.7 2.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.245 0.545 . . . . 0.0 110.07 -178.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.812 ' O ' HD22 ' A' ' 14' ' ' LEU . 3.4 tt -108.96 108.83 60.91 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.879 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.404 ' O ' HD13 ' A' ' 23' ' ' LEU . 77.6 Cg_exo -49.43 169.69 0.11 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.692 2.261 . . . . 0.0 113.188 -178.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -89.64 -3.38 58.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.858 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -76.31 -32.03 58.49 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.714 HD21 ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -107.83 14.64 25.25 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.107 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.639 ' HE3' HD21 ' A' ' 14' ' ' LEU . 46.6 t-105 -57.6 97.75 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.013 179.309 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 159.03 -26.01 0.36 Allowed Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.51 -0.853 . . . . 0.0 112.985 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -79.57 100.63 7.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.731 0.3 . . . . 0.0 111.03 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.728 ' CE1' HG11 ' A' ' 66' ' ' VAL . 28.4 t80 -52.98 -42.96 66.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.619 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.15 -32.31 71.22 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.849 -0.691 . . . . 0.0 113.268 -179.263 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 29' ' ' ARG . 20.4 mtt180 -83.06 -47.03 12.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.776 0.288 . . . . 0.0 111.724 -179.17 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.631 ' HA ' HD13 ' A' ' 19' ' ' LEU . 13.4 ptp -58.96 -40.35 84.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.626 0.251 . . . . 0.0 110.886 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -71.27 -36.41 71.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.795 0.331 . . . . 0.0 110.325 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -63.36 -34.4 77.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.246 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.516 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -81.19 -39.62 25.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.685 179.653 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.445 ' CE2' ' CB ' ' A' ' 59' ' ' TRP . 13.6 t80 -53.73 -44.3 69.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.527 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -72.32 -38.45 68.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.398 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -37.6 81.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.709 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 -88.8 -20.27 24.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.6 m -68.0 -29.52 68.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.708 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.1 mt -72.32 -33.68 67.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.983 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.601 HD12 ' HG ' ' A' ' 41' ' ' LEU . 2.9 pp -85.44 -17.04 37.75 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.958 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.601 ' HG ' HD12 ' A' ' 40' ' ' LEU . 32.8 mt -95.18 -4.23 46.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.252 179.576 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -79.39 123.72 84.36 Favored Pre-proline 0 N--CA 1.455 -0.187 0 CA-C-O 120.746 0.307 . . . . 0.0 110.448 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo -43.74 -27.6 1.61 Allowed 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.972 2.448 . . . . 0.0 113.551 -179.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.99 -12.18 60.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.627 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt -118.43 28.86 8.08 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.805 0.336 . . . . 0.0 110.866 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.85 16.58 79.3 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.809 -0.71 . . . . 0.0 113.01 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -87.11 163.29 34.41 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.385 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.556 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -87.58 152.79 21.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.904 0.383 . . . . 0.0 110.744 -179.859 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -78.97 -41.96 27.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.821 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.403 ' HA ' ' HG2' ' A' ' 53' ' ' GLN . . . -58.02 -34.61 70.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.571 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.587 ' HB3' HD22 ' A' ' 41' ' ' LEU . 4.0 mp -71.87 -53.25 13.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.925 0.393 . . . . 0.0 111.04 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 10.4 tpt -56.3 -45.74 80.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.415 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.403 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 4.0 pt20 -67.31 -26.85 66.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.71 0.291 . . . . 0.0 111.216 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.91 -54.48 21.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.369 . . . . 0.0 110.75 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.44 HD11 HD23 ' A' ' 17' ' ' LEU . 8.3 tp -56.7 -40.2 75.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.991 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -58.09 -33.04 68.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.798 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.69 -31.32 41.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.788 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.601 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 14.6 mt -80.89 -29.67 35.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.779 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.59 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 70.3 t-105 -88.8 -20.88 24.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.01 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.411 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -73.15 -64.12 2.62 Favored Glycine 0 C--N 1.335 0.479 0 C-N-CA 121.041 -0.599 . . . . 0.0 111.892 179.214 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.578 HG21 ' HB3' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -53.39 -50.9 64.16 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 179.001 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.532 ' N ' ' CG2' ' A' ' 61' ' ' THR . 4.7 t80 -45.32 -49.62 12.66 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 113.407 -1.724 . . . . 0.0 109.738 177.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.59 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 1.9 ttmt -55.2 -36.03 65.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.363 -1.29 . . . . 0.0 111.066 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 41.0 m -47.45 -39.4 15.66 Favored 'General case' 0 CA--C 1.522 -0.107 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -85.25 -30.63 23.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.955 178.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.93 ' HA ' HD23 ' A' ' 69' ' ' LEU . 69.1 t -55.49 -41.82 65.08 Favored 'Isoleucine or valine' 0 C--O 1.23 0.066 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.151 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -63.34 -30.51 71.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.438 179.684 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -90.76 -21.76 21.38 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.485 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.93 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -59.36 -29.94 68.04 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.845 0.355 . . . . 0.0 110.858 -179.525 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.8 mtm105 -76.8 0.68 19.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.009 0.433 . . . . 0.0 111.677 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 30.3 mmt -115.98 -17.49 10.92 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.213 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -76.18 56.32 1.02 Allowed 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.854 0.359 . . . . 0.0 111.007 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 43.5 mt -93.06 87.98 5.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.788 0.327 . . . . 0.0 110.907 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -68.05 101.71 0.77 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.435 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 179.64 72.62 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.573 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 29.8 p -68.5 129.74 40.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.766 0.317 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.66 -87.54 0.53 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.457 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -92.18 116.23 28.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.717 0.294 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.755 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.1 mtm . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 120.878 0.37 . . . . 0.0 111.258 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -78.67 125.71 29.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 3' ' ' ARG . 3.2 mtm180 -137.91 82.7 1.93 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.742 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.4 m -133.06 126.51 53.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.217 0.532 . . . . 0.0 111.418 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.824 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.6 pt? -87.8 150.66 23.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.861 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.6 p -90.18 -174.67 4.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.22 -179.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -57.46 -33.95 68.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.955 179.862 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.23 -46.81 72.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.526 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.824 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 50.1 m-20 -58.12 -59.38 5.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.015 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.559 ' N ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -52.2 -39.85 60.72 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.09 0.472 . . . . 0.0 110.112 179.813 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.434 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 2.3 mt-10 -65.13 -38.95 92.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.579 178.66 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.414 ' CD ' HD11 ' A' ' 58' ' ' LEU . 1.3 ttt-85 -70.76 -31.21 67.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.6 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.685 ' O ' HD23 ' A' ' 17' ' ' LEU . 3.6 tp -72.98 -31.26 64.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.531 179.683 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.839 HD22 ' O ' ' A' ' 19' ' ' LEU . 11.7 mt -74.79 -41.33 60.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.299 -179.726 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -61.7 -38.85 89.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.434 ' O ' ' NE2' ' A' ' 37' ' ' GLN . 1.3 mt -82.02 -18.6 42.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.276 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.685 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.9 mm? -88.9 -5.3 58.09 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.0 18.52 2.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.232 0.539 . . . . 0.0 110.253 -178.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.839 ' O ' HD22 ' A' ' 14' ' ' LEU . 1.8 tt -106.11 110.79 64.3 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.285 -179.451 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.55 ' N ' HD21 ' A' ' 23' ' ' LEU . 46.1 Cg_exo -46.7 -176.4 0.0 OUTLIER 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.987 2.458 . . . . 0.0 112.892 -179.68 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -90.5 -35.02 15.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.996 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -51.91 -33.97 39.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.585 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.67 HD23 ' H ' ' A' ' 23' ' ' LEU . 1.4 pt? -102.19 12.94 35.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.194 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.688 ' HE3' HD21 ' A' ' 14' ' ' LEU . 46.7 t-105 -53.65 92.63 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.786 0.327 . . . . 0.0 110.773 179.617 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 144.91 -23.93 1.94 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.43 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.412 ' O ' ' HG2' ' A' ' 30' ' ' MET . 27.0 t0 -57.28 97.51 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.691 0.282 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.43 ' HA ' ' SD ' ' A' ' 30' ' ' MET . 15.9 t80 -56.11 -46.56 79.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.741 -179.592 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.31 -38.68 96.82 Favored Glycine 0 CA--C 1.52 0.372 0 C-N-CA 120.826 -0.702 . . . . 0.0 113.324 -179.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.17 -38.76 26.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.89 0.345 . . . . 0.0 111.919 -179.162 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.43 ' SD ' ' HA ' ' A' ' 27' ' ' PHE . 7.0 ptp -64.73 -47.28 78.84 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 121.044 -0.263 . . . . 0.0 111.02 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -62.27 -42.37 99.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.766 0.317 . . . . 0.0 110.395 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.9 -38.43 75.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.051 0.453 . . . . 0.0 110.159 179.329 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.59 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -74.51 -44.61 50.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.138 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.549 ' HB2' HD11 ' A' ' 17' ' ' LEU . 7.8 t80 -55.38 -45.72 76.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.297 179.351 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.407 ' HA ' ' OG ' ' A' ' 38' ' ' SER . 7.9 mtpm? -65.15 -28.64 69.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.877 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -46.59 44.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.234 -179.713 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.434 ' NE2' ' O ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -82.04 -21.58 36.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.543 -179.496 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.488 ' HA ' ' HE1' ' A' ' 52' ' ' MET . 91.9 p -73.6 -29.46 62.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.884 0.373 . . . . 0.0 110.762 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.2 mt -74.09 -36.14 64.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.066 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.433 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 3.7 pp -84.87 -14.95 46.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.11 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.614 HD22 ' HB3' ' A' ' 51' ' ' LEU . 15.1 mt -94.49 13.92 22.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.748 0.308 . . . . 0.0 110.964 179.42 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.459 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 18.0 t-80 -90.03 137.71 27.93 Favored Pre-proline 0 N--CA 1.454 -0.256 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.927 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -47.81 -24.76 5.24 Favored 'Trans proline' 0 CA--C 1.529 0.242 0 C-N-CA 122.829 2.353 . . . . 0.0 112.778 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -88.0 -25.02 23.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.64 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.459 ' HD3' ' HB3' ' A' ' 42' ' ' HIS . 1.7 mptp? -103.76 31.16 4.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.803 0.335 . . . . 0.0 111.078 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.8 46.72 65.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.467 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -116.1 159.08 14.05 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.486 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.563 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -90.22 161.22 15.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.864 0.364 . . . . 0.0 110.889 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -83.03 -48.66 10.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.768 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.96 -26.67 64.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.189 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.614 ' HB3' HD22 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -81.44 -52.74 6.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.025 -179.918 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.488 ' HE1' ' HA ' ' A' ' 38' ' ' SER . 8.0 tpt -51.19 -43.57 61.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.907 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.66 -33.51 72.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.532 179.667 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -64.45 -50.84 65.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.553 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.48 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 11.7 tp -66.56 -38.2 86.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.523 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -64.4 -50.16 68.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.008 0.432 . . . . 0.0 110.514 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 m -67.57 -27.15 66.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.686 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.615 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 14.1 mt -78.5 -26.91 46.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.541 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 66.5 t-105 -90.4 -27.42 19.33 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.52 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.0 -61.53 3.71 Favored Glycine 0 C--N 1.335 0.483 0 C-N-CA 120.977 -0.63 . . . . 0.0 111.771 179.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.635 HG23 HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -51.43 -50.5 59.59 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 178.721 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.561 ' N ' ' CG2' ' A' ' 61' ' ' THR . 1.3 t80 -45.65 -53.07 9.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 113.245 -1.798 . . . . 0.0 109.066 177.43 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.584 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -57.31 -38.61 74.3 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 113.921 -1.49 . . . . 0.0 110.961 179.468 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.96 -36.4 27.93 Favored 'General case' 0 CA--C 1.522 -0.123 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 178.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 69' ' ' LEU . 2.2 mm-40 -85.39 -29.27 24.56 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.373 178.268 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.938 ' HA ' HD23 ' A' ' 69' ' ' LEU . 54.0 t -58.17 -54.78 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.86 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -55.45 -30.6 60.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.698 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -90.61 -20.95 21.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.588 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.938 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -60.83 -30.89 70.37 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.818 0.342 . . . . 0.0 110.729 -179.42 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -82.78 1.2 40.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.77 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.7 mmt -121.42 -52.76 2.03 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.862 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -61.32 132.15 52.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.743 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -142.0 -52.01 0.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.954 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.58 35.61 0.68 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.399 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 149.06 -92.79 0.15 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.593 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.6 p -89.62 127.63 35.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.744 0.307 . . . . 0.0 111.061 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -103.44 -42.8 1.96 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.57 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -81.19 140.81 34.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.797 0.332 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.145 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.5 mtt . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 120.801 0.334 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.5 117.25 7.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.763 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.8 mmt180 -131.82 67.93 1.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.538 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 19.8 m -138.05 119.68 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.368 0.604 . . . . 0.0 111.021 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.811 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER -82.1 145.06 30.36 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.602 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.9 p -90.05 -174.96 4.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.866 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.7 ttm-85 -60.43 -28.93 68.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.82 -27.33 57.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.677 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.811 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 5.1 m-20 -88.87 -47.98 7.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.749 -0.205 . . . . 0.0 111.257 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.482 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -59.35 -34.74 72.75 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.939 0.399 . . . . 0.0 110.294 179.71 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.431 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 19.5 pt-20 -69.65 -32.82 71.71 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.653 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.0 ttt85 -63.37 -31.81 73.06 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.828 178.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.615 ' O ' HD23 ' A' ' 17' ' ' LEU . 1.7 tp -69.85 -32.9 71.53 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.734 178.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.826 HD22 ' O ' ' A' ' 19' ' ' LEU . 12.4 mt -67.56 -43.87 79.61 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.823 179.55 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -54.49 -54.07 45.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.758 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.45 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 7.3 mp -68.52 -16.68 63.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.911 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.657 ' CD2' HD11 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -90.14 -2.73 58.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.987 -179.452 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 48.98 21.25 0.44 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.285 0.564 . . . . 0.0 110.055 -178.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.826 ' O ' HD22 ' A' ' 14' ' ' LEU . 5.1 tt -111.82 110.05 54.86 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.605 -179.084 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.463 ' O ' HD13 ' A' ' 23' ' ' LEU . 79.8 Cg_exo -48.37 167.4 0.11 Allowed 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.519 2.146 . . . . 0.0 113.261 -178.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.28 -6.37 56.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.973 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -74.16 -34.51 63.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.128 0.489 . . . . 0.0 110.897 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.71 HD21 ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -101.93 12.96 36.1 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.562 -179.77 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.673 ' HE3' HD21 ' A' ' 14' ' ' LEU . 57.1 t-105 -52.08 109.6 0.39 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.478 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 143.31 -21.19 2.25 Favored Glycine 0 C--N 1.334 0.467 0 C-N-CA 120.873 -0.68 . . . . 0.0 113.254 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.503 ' O ' ' HG2' ' A' ' 30' ' ' MET . 13.1 t0 -78.77 92.28 4.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.645 0.26 . . . . 0.0 111.291 -179.643 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.749 ' CD1' HG11 ' A' ' 66' ' ' VAL . 14.5 t80 -48.53 -43.8 35.73 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.927 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.08 -33.59 87.64 Favored Glycine 0 CA--C 1.517 0.211 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.825 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.478 ' CZ ' ' HG ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -73.68 -49.97 23.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.731 0.301 . . . . 0.0 111.179 -179.819 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.607 ' HA ' HD13 ' A' ' 19' ' ' LEU . 12.5 ptp -60.77 -46.66 89.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.663 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -59.4 -42.1 90.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.799 0.333 . . . . 0.0 110.45 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.81 -41.6 82.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.567 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.434 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -76.67 -42.98 39.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.726 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.561 ' HB2' HD11 ' A' ' 17' ' ' LEU . 7.4 t80 -53.24 -45.61 68.82 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.194 179.403 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.436 ' HA ' ' OG ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -66.14 -33.66 76.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.774 179.815 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -67.51 -52.22 41.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.259 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.45 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 7.4 mm100 -74.89 -21.32 59.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.619 -179.377 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.436 ' OG ' ' HA ' ' A' ' 35' ' ' LYS . 80.8 p -71.69 -26.86 62.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.649 179.346 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.482 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 6.0 mt -79.21 -30.45 43.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.199 -179.62 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.554 HD12 ' HG ' ' A' ' 41' ' ' LEU . 3.8 pp -85.32 -17.07 37.94 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.114 -0.234 . . . . 0.0 111.359 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.608 HD21 HD22 ' A' ' 51' ' ' LEU . 14.3 mt -95.42 1.92 54.34 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -80.45 134.4 54.84 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 120.765 0.317 . . . . 0.0 110.338 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -46.69 -19.54 0.77 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.92 2.413 . . . . 0.0 113.344 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -81.76 -21.94 37.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.702 0.286 . . . . 0.0 111.264 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.482 ' HG3' ' O ' ' A' ' 39' ' ' LEU . 10.8 mmtt -116.57 31.1 6.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.814 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.0 88.16 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.636 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -158.13 164.8 33.51 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.503 -0.856 . . . . 0.0 112.59 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.06 148.23 23.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.868 0.366 . . . . 0.0 110.669 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.74 -42.38 41.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.664 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.53 -29.04 49.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.533 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.608 HD22 HD21 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -77.11 -50.79 12.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.062 -179.803 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 7.0 tpt -57.67 -26.83 62.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.964 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -79.98 -34.42 38.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.708 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.474 ' HG2' HD11 ' A' ' 58' ' ' LEU . 2.3 tt0 -69.39 -50.42 46.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.657 HD11 ' CD2' ' A' ' 17' ' ' LEU . 8.8 tp -57.93 -49.0 78.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.091 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -61.49 -35.66 78.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.834 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.33 -40.83 50.34 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.489 HD23 HD23 ' A' ' 5' ' ' LEU . 5.7 mt -76.34 -24.0 54.25 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.748 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.601 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 62.3 t-105 -90.24 -18.04 26.38 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.16 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.409 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -78.31 -61.59 2.46 Favored Glycine 0 C--N 1.336 0.582 0 C-N-CA 121.008 -0.615 . . . . 0.0 111.88 179.167 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.581 HG21 ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -55.71 -51.18 68.21 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 107.313 -1.366 . . . . 0.0 107.313 179.174 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.549 ' N ' ' CG2' ' A' ' 61' ' ' THR . 2.6 t80 -42.76 -54.8 3.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 113.805 -1.543 . . . . 0.0 109.303 177.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.601 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 1.1 ttmt -51.6 -44.12 62.75 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.03 -1.441 . . . . 0.0 111.584 179.333 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 68.7 m -47.31 -37.54 11.05 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-O 121.355 0.598 . . . . 0.0 109.701 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -85.44 -31.57 22.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.34 178.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.879 ' HA ' HD23 ' A' ' 69' ' ' LEU . 73.1 t -54.79 -48.67 73.02 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.118 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.999 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -55.28 -31.23 61.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.061 0.457 . . . . 0.0 110.29 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -91.07 -22.59 20.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.503 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.879 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -61.9 -32.31 72.68 Favored 'General case' 0 N--CA 1.461 0.076 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.654 -178.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.0 mpp_? -72.26 1.24 8.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.075 0.464 . . . . 0.0 111.887 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.43 -37.1 3.09 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.725 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -94.83 39.79 1.1 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.53 HD12 ' CD1' ' A' ' 69' ' ' LEU . 3.0 mt -136.29 -73.48 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.017 0.437 . . . . 0.0 110.616 179.71 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -144.43 131.89 4.56 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.515 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -142.84 -36.39 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.369 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 43.4 p -73.75 141.41 46.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.697 0.284 . . . . 0.0 111.11 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -124.04 -48.25 0.23 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.306 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -98.78 118.46 35.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.93 0.395 . . . . 0.0 110.718 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.084 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.8 ttp . . . . . 0 N--CA 1.488 1.439 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.47 128.52 35.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.809 0.338 . . . . 0.0 110.786 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.482 ' C ' ' HG1' ' A' ' 61' ' ' THR . 0.7 OUTLIER -95.66 92.24 6.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.597 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.4 m -126.73 125.29 66.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.886 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.787 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.0 pt? -87.51 149.89 24.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.992 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.0 p -86.58 -174.53 5.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.498 -178.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.456 ' HG3' ' N ' ' A' ' 8' ' ' ALA . 18.1 ptt85 -58.33 -34.83 71.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.839 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.456 ' N ' ' HG3' ' A' ' 7' ' ' ARG . . . -65.99 -41.27 91.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.037 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.787 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -71.84 -53.41 13.35 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 120.834 0.35 . . . . 0.0 111.123 -179.805 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.518 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -62.28 -35.19 78.23 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.932 -179.184 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -65.62 -40.03 92.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.42 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.74 -31.25 70.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.004 179.265 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.726 ' O ' HD23 ' A' ' 17' ' ' LEU . 3.4 tp -65.74 -29.45 69.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.122 179.24 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.927 HD22 ' O ' ' A' ' 19' ' ' LEU . 13.1 mt -76.06 -38.05 57.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.986 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.04 -52.0 64.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.842 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.685 HD22 HD11 ' A' ' 41' ' ' LEU . 1.3 mt -74.63 -12.11 60.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.14 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.726 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.1 mm? -90.31 -10.0 45.76 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.44 19.69 2.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.29 0.567 . . . . 0.0 110.173 -178.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.927 ' O ' HD22 ' A' ' 14' ' ' LEU . 2.6 tt -110.98 109.38 57.32 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.067 -179.333 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.426 ' O ' HD13 ' A' ' 23' ' ' LEU . 75.6 Cg_exo -47.04 168.3 0.06 OUTLIER 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.731 2.287 . . . . 0.0 113.365 -178.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -90.41 -3.39 57.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.115 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -78.27 -32.57 49.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.093 0.473 . . . . 0.0 110.791 -179.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.733 ' CD2' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -103.2 11.66 36.66 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.985 179.7 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.553 ' HE3' HD21 ' A' ' 14' ' ' LEU . 46.3 t-105 -56.02 104.27 0.13 Allowed 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.06 179.474 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.41 -29.67 0.7 Allowed Glycine 0 C--N 1.33 0.227 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.309 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.487 ' HB3' ' HB2' ' A' ' 29' ' ' ARG . 5.4 t0 -77.16 87.37 3.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.742 0.306 . . . . 0.0 110.957 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.672 ' CE1' HG11 ' A' ' 66' ' ' VAL . 50.1 t80 -45.49 -46.77 13.95 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.517 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.02 -32.46 62.66 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.755 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.487 ' HB2' ' HB3' ' A' ' 26' ' ' ASP . 5.5 ttt180 -78.59 -55.49 5.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.712 0.291 . . . . 0.0 111.079 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.805 ' HA ' HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -58.02 -49.57 76.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.137 -179.809 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -56.35 -42.64 78.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.718 0.294 . . . . 0.0 110.783 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 -57.13 -39.9 76.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.318 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.03 -38.94 63.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.561 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.524 ' CE2' ' CB ' ' A' ' 59' ' ' TRP . 25.4 t80 -50.76 -45.69 59.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.846 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.406 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 0.4 OUTLIER -72.51 -36.38 68.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.722 179.754 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -67.16 -35.95 80.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.016 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 78.3 mm-40 -89.58 -21.65 22.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.231 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.3 m -69.12 -32.42 71.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.883 0.373 . . . . 0.0 110.609 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 35' ' ' LYS . 94.0 mt -70.62 -37.28 73.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.192 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.417 HD21 ' HA ' ' A' ' 37' ' ' GLN . 2.7 pp -78.92 -12.06 60.02 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.132 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.685 HD11 HD22 ' A' ' 16' ' ' LEU . 24.2 mt -93.37 1.66 56.83 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.675 -0.239 . . . . 0.0 110.913 179.33 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.47 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 17.9 t-80 -89.97 141.48 28.1 Favored Pre-proline 0 C--N 1.333 -0.139 0 CA-C-O 120.764 0.316 . . . . 0.0 110.785 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 82.4 Cg_exo -45.4 -28.62 4.07 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 123.082 2.521 . . . . 0.0 113.6 -179.57 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.56 -19.75 55.18 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.0 mmtt -119.45 31.01 6.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.786 0.327 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 65.68 76.27 0.35 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.482 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -141.1 157.78 26.12 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.598 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.792 ' CB ' HD13 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -89.91 165.84 13.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.836 0.351 . . . . 0.0 110.91 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.407 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 23.0 t-80 -81.27 -51.27 8.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.785 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.94 -27.18 68.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.45 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.792 HD13 ' CB ' ' A' ' 48' ' ' SER . 7.1 mp -65.18 -51.8 58.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.177 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -26.26 67.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.367 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 20.2 mm-40 -78.97 -30.55 44.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.75 0.309 . . . . 0.0 111.1 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -71.72 -50.21 32.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.161 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.533 HD11 HD21 ' A' ' 17' ' ' LEU . 13.1 tp -65.18 -40.34 94.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.218 -179.698 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -62.11 -39.55 92.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.77 0.319 . . . . 0.0 110.685 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.89 -36.58 64.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.731 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.623 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 53.0 mt -72.62 -24.62 61.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.242 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.601 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 66.3 t-105 -90.27 -19.9 23.57 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.33 -58.98 2.99 Favored Glycine 0 C--N 1.334 0.435 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.517 179.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.707 HG21 ' HB3' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -55.29 -50.18 70.22 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 107.254 -1.387 . . . . 0.0 107.254 178.653 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.755 ' O ' ' HG3' ' A' ' 65' ' ' GLU . 0.9 OUTLIER -45.77 -54.3 8.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 113.411 -1.722 . . . . 0.0 109.012 177.875 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.601 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 1.2 mtmt -58.1 -39.04 77.62 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.841 -1.072 . . . . 0.0 111.026 179.239 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.45 ' HB ' ' O ' ' A' ' 61' ' ' THR . 59.2 m -51.48 -40.03 58.68 Favored 'General case' 0 CA--C 1.521 -0.168 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.181 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.755 ' HG3' ' O ' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -85.14 -24.45 27.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.996 178.38 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.986 ' HA ' HD23 ' A' ' 69' ' ' LEU . 36.7 t -55.73 -44.87 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.087 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.593 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.97 -25.1 68.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.929 0.395 . . . . 0.0 110.361 179.387 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -90.83 -24.32 20.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.095 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.986 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.7 OUTLIER -62.93 -20.27 65.05 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 120.738 0.304 . . . . 0.0 110.889 -179.913 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 70' ' ' ARG . 5.8 mpt_? -79.62 1.36 26.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.019 0.437 . . . . 0.0 111.972 179.745 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 42.2 mtp -103.46 -25.89 13.07 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.996 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -87.63 -4.15 58.95 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.378 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.89 87.63 7.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.961 0.41 . . . . 0.0 110.722 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -163.62 126.64 1.55 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.573 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -148.19 139.71 7.87 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.503 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 56.8 p -77.12 116.99 18.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.885 0.374 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -109.2 54.35 0.55 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.451 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -96.84 26.93 4.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.743 0.306 . . . . 0.0 111.017 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.742 179.902 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.2 mtm . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.842 0.353 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -70.12 121.45 17.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.968 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -95.12 87.76 4.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.926 0.393 . . . . 0.0 110.707 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.7 m -137.08 126.39 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.231 0.539 . . . . 0.0 110.925 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.775 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.0 pt? -89.81 141.52 28.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.871 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.1 p -86.08 -174.34 5.03 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.38 -179.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 8' ' ' ALA . 12.4 ptm180 -57.51 -36.34 71.42 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.82 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.441 ' N ' ' HG3' ' A' ' 7' ' ' ARG . . . -64.02 -41.41 97.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.717 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.775 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -63.62 -59.7 4.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.101 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.497 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -54.4 -34.39 61.2 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.219 0.533 . . . . 0.0 110.116 179.75 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.496 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 1.5 mm-40 -71.54 -40.37 70.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.402 178.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -44.96 89.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.711 178.737 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.54 HD12 HD12 ' A' ' 55' ' ' LEU . 1.9 tp -60.48 -29.99 69.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.159 179.256 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.897 HD22 ' O ' ' A' ' 19' ' ' LEU . 15.3 mt -74.47 -39.51 62.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.221 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -55.26 -55.34 32.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.958 0.409 . . . . 0.0 110.583 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.446 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 7.2 mp -71.05 -14.83 62.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.965 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.624 ' CD2' HD11 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -90.19 -8.74 50.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.678 -179.62 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.51 20.67 2.15 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.359 0.6 . . . . 0.0 109.903 -178.43 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.897 ' O ' HD22 ' A' ' 14' ' ' LEU . 3.7 tt -110.83 107.09 57.94 Favored Pre-proline 0 N--CA 1.449 -0.516 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.224 -179.088 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.478 ' O ' HD13 ' A' ' 23' ' ' LEU . 52.5 Cg_exo -51.45 166.7 0.46 Allowed 'Trans proline' 0 N--CA 1.464 -0.251 0 C-N-CA 122.4 2.067 . . . . 0.0 112.732 -179.419 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.06 -9.0 58.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.782 179.274 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -69.12 -36.17 77.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.105 -179.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.726 HD21 ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -102.32 10.95 38.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.27 179.719 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.722 ' HE3' HD21 ' A' ' 14' ' ' LEU . 62.8 t-105 -52.83 110.19 0.49 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.191 179.407 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 142.89 -24.11 2.28 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.871 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -80.24 101.47 8.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.69 0.281 . . . . 0.0 111.049 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.665 ' CE1' HG11 ' A' ' 66' ' ' VAL . 24.9 t80 -53.5 -51.83 61.56 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.179 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.452 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -54.75 -28.97 48.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.579 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.7 tpp180 -80.95 -54.71 5.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.665 0.269 . . . . 0.0 111.058 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.762 ' HA ' HD13 ' A' ' 19' ' ' LEU . 8.2 ptp -56.17 -45.77 79.57 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.122 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -63.61 -37.83 88.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.705 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.452 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -58.41 -45.27 88.73 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.708 179.672 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.471 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -76.71 -40.89 47.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.97 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.482 ' HB2' HD11 ' A' ' 17' ' ' LEU . 10.9 t80 -52.69 -45.86 67.01 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.89 0.376 . . . . 0.0 110.424 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.89 -34.96 72.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.724 179.649 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -66.24 -40.86 90.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.782 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 20.3 mm100 -83.13 -23.11 33.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.29 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 79.3 p -73.74 -32.46 63.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.875 0.369 . . . . 0.0 110.261 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.525 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 12.1 mt -70.83 -29.63 65.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.913 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.445 HD12 ' HG ' ' A' ' 41' ' ' LEU . 3.1 pp -89.92 -15.35 32.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.009 179.663 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.445 ' HG ' HD12 ' A' ' 40' ' ' LEU . 31.3 mt -95.17 -4.17 46.5 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.195 179.262 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -67.38 126.95 93.28 Favored Pre-proline 0 CA--C 1.532 0.254 0 CA-C-N 116.673 -0.24 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -44.05 -33.41 5.54 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.885 2.39 . . . . 0.0 113.346 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.54 -10.93 60.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.546 -179.516 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.525 ' HG3' ' O ' ' A' ' 39' ' ' LEU . 17.1 mmtt -113.17 31.12 6.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.893 0.377 . . . . 0.0 111.128 -179.495 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 65.47 19.54 66.83 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.791 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -92.6 170.24 32.2 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.523 -0.846 . . . . 0.0 112.566 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.524 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -90.08 137.12 32.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.817 0.341 . . . . 0.0 110.958 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 46.7 p-80 -74.45 -33.66 62.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.59 -21.1 66.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.281 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.524 HD13 ' HB2' ' A' ' 48' ' ' SER . 0.5 OUTLIER -86.31 -50.58 6.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.011 -179.893 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.407 ' HA ' ' HE3' ' A' ' 52' ' ' MET . 5.8 tpt -57.18 -29.31 63.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.271 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.96 -32.22 39.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.935 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.04 -44.83 68.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.952 0.406 . . . . 0.0 110.387 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.624 HD11 ' CD2' ' A' ' 17' ' ' LEU . 9.2 tp -60.95 -42.8 98.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.822 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.22 -29.91 70.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.653 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.5 m -76.51 -36.24 57.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.777 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.626 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 16.6 mt -79.44 -22.31 44.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.559 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 64.1 t-105 -90.28 -21.98 21.81 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.63 -64.47 2.58 Favored Glycine 0 C--N 1.335 0.486 0 C-N-CA 121.037 -0.601 . . . . 0.0 111.749 179.134 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.706 HG23 HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -53.41 -51.69 61.79 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.052 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.549 ' N ' ' CG2' ' A' ' 61' ' ' THR . 1.7 t80 -43.42 -48.97 7.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 113.869 -1.514 . . . . 0.0 109.232 177.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.613 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 0.4 OUTLIER -53.86 -40.99 67.02 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 113.917 -1.492 . . . . 0.0 111.248 179.479 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 93.7 m -47.87 -37.27 13.65 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.453 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 4.7 mm-40 -85.34 -32.04 22.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.59 178.306 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.825 ' HA ' HD23 ' A' ' 69' ' ' LEU . 78.2 t -53.16 -39.26 33.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.951 179.638 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -65.71 -36.73 84.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.453 ' ND2' ' HA ' ' A' ' 65' ' ' GLU . 20.7 p30 -88.83 -11.71 44.01 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.636 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.825 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -63.15 -33.72 76.07 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.038 0.447 . . . . 0.0 110.291 179.803 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.7 mtm-85 -75.24 1.04 14.52 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.037 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.3 mtt -116.69 -58.15 2.11 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.727 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -67.12 116.23 7.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.688 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.7 tt -129.25 -67.01 0.79 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.006 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -151.43 -125.86 1.24 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.457 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 155.09 109.54 0.33 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.6 m -89.08 116.42 27.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.852 0.358 . . . . 0.0 110.86 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 161.64 72.73 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.455 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -73.91 164.99 25.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.769 0.318 . . . . 0.0 111.019 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.816 179.931 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.843 0.354 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -64.55 -175.03 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.08 71.53 1.04 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.3 m -137.99 125.47 29.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.174 0.511 . . . . 0.0 110.979 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.7 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER -86.53 139.7 30.61 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.776 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.8 p -89.97 -174.32 4.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.796 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -55.06 -41.15 71.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.347 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.6 -33.44 72.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.607 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.7 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 12.0 m-20 -78.04 -54.22 6.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.975 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.642 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -57.44 -33.84 68.35 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.019 0.437 . . . . 0.0 110.068 179.344 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -69.07 -34.56 75.34 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 178.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -35.28 78.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.776 179.034 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.577 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.7 tp -64.2 -36.35 83.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.884 179.171 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.885 HD22 ' O ' ' A' ' 19' ' ' LEU . 11.5 mt -63.21 -40.38 97.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.93 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -57.75 -55.56 33.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.711 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.523 ' HB2' HD13 ' A' ' 55' ' ' LEU . 1.2 mt -65.35 -15.25 62.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 179.625 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.613 ' O ' ' HB1' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -90.15 -10.71 43.51 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -179.536 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.22 19.35 2.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.405 0.621 . . . . 0.0 110.151 -178.716 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.885 ' O ' HD22 ' A' ' 14' ' ' LEU . 3.4 tt -110.47 110.99 57.66 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 115.21 -0.904 . . . . 0.0 109.801 -179.329 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.409 ' O ' HD13 ' A' ' 23' ' ' LEU . 86.7 Cg_exo -45.53 167.6 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.871 2.381 . . . . 0.0 113.567 -178.596 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.437 ' CG ' HD13 ' A' ' 14' ' ' LEU . 19.7 mtt180 -90.16 -3.78 57.67 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.215 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -79.79 -30.34 40.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.955 0.407 . . . . 0.0 111.394 -178.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.743 ' CD2' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -103.77 11.7 35.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.324 -179.868 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.515 ' HE3' HD21 ' A' ' 14' ' ' LEU . 31.0 t-105 -56.47 97.4 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.907 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 161.32 -28.85 0.3 Allowed Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.687 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.4 ' HB3' ' HB2' ' A' ' 29' ' ' ARG . 4.2 t70 -81.28 94.66 6.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.68 0.276 . . . . 0.0 111.123 -179.72 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.741 ' CE1' HG11 ' A' ' 66' ' ' VAL . 30.3 t80 -47.93 -35.6 10.94 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.306 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.544 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -64.55 -37.05 93.91 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.838 -0.696 . . . . 0.0 113.03 -179.49 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.4 ' HB2' ' HB3' ' A' ' 26' ' ' ASP . 28.4 mtp180 -80.33 -43.36 21.33 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -179.305 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.878 ' HA ' HD13 ' A' ' 19' ' ' LEU . 12.6 ptp -64.99 -48.62 73.34 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 121.22 -0.192 . . . . 0.0 111.446 -179.432 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -64.3 -34.4 78.05 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.829 -0.349 . . . . 0.0 110.181 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.544 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.6 OUTLIER -59.25 -50.09 75.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.093 0.473 . . . . 0.0 109.903 179.194 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.613 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -64.31 -42.62 96.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.65 179.481 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.58 ' HB2' HD11 ' A' ' 17' ' ' LEU . 12.3 t80 -50.64 -42.25 56.15 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.827 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -67.73 -41.87 82.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.729 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -60.94 -34.81 75.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.637 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.477 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 64.7 mm-40 -88.69 -20.89 24.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.275 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.6 -27.96 63.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.873 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 69.5 mt -83.91 -26.93 28.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.463 -179.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.441 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 4.5 pp -90.03 -19.59 24.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.76 0.314 . . . . 0.0 110.915 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.6 mt -90.69 9.95 27.77 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.982 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.529 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 24.6 t-80 -88.42 142.55 31.41 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.049 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.529 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 25.4 Cg_endo -63.04 -8.94 15.21 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.499 2.132 . . . . 0.0 113.198 -179.28 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -92.26 -24.91 18.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.77 0.319 . . . . 0.0 110.641 179.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.432 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -105.2 30.63 5.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.766 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.21 72.37 0.68 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.516 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -152.39 173.24 31.52 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.452 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.13 145.23 25.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.82 0.343 . . . . 0.0 110.988 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.6 p-80 -82.54 -40.15 21.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.416 ' O ' ' HG3' ' A' ' 53' ' ' GLN . . . -58.67 -19.02 35.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.472 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 51' ' ' LEU . 7.7 mt -82.68 -48.38 10.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.829 0.347 . . . . 0.0 111.012 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -32.54 50.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.057 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.423 ' O ' ' OG ' ' A' ' 57' ' ' SER . 0.0 OUTLIER -84.49 -31.74 24.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.591 179.646 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 1.0 OUTLIER -70.07 -43.01 72.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.938 0.399 . . . . 0.0 110.784 179.614 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.612 HD11 ' CD2' ' A' ' 17' ' ' LEU . 9.0 tp -70.11 -39.46 75.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.699 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.32 -34.78 74.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.6 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 53' ' ' GLN . 0.8 OUTLIER -69.93 -28.21 65.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 179.888 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.522 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 1.9 mt -86.74 -28.92 22.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.091 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.603 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 69.4 t-105 -89.72 -18.38 26.5 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.4 -64.56 2.25 Favored Glycine 0 C--N 1.335 0.507 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.995 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.54 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -53.16 -49.7 66.1 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 179.054 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.559 ' O ' HG23 ' A' ' 66' ' ' VAL . 5.5 t80 -44.43 -52.51 7.75 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 113.473 -1.694 . . . . 0.0 109.183 177.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.603 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 0.9 OUTLIER -56.9 -42.44 79.91 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.476 -1.238 . . . . 0.0 111.045 179.079 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.443 ' HB ' ' O ' ' A' ' 61' ' ' THR . 87.0 m -49.07 -36.5 18.61 Favored 'General case' 0 CA--C 1.521 -0.155 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.051 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -85.44 -30.2 23.73 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.459 178.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.741 HG11 ' CE1' ' A' ' 27' ' ' PHE . 70.5 t -55.26 -44.32 74.64 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.162 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -59.31 -31.64 69.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.977 0.418 . . . . 0.0 110.266 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -91.03 -22.33 20.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.67 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.783 ' C ' HD12 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -60.37 -24.49 65.13 Favored 'General case' 0 N--CA 1.462 0.17 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.169 -179.156 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.04 0.97 16.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.872 0.368 . . . . 0.0 111.923 -179.527 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.3 mmt -120.53 -40.0 2.71 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.728 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -69.58 145.01 52.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.79 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.38 39.42 1.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.812 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 155.41 -42.96 0.57 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.346 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 150.85 -179.48 27.52 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.424 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 56.1 p -80.62 115.31 20.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.872 0.367 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 129.36 52.67 0.11 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.337 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -80.03 133.07 36.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.015 0.436 . . . . 0.0 111.236 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.221 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 120.833 0.349 . . . . 0.0 111.313 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -125.5 -70.71 0.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.801 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.471 ' HG2' ' OG1' ' A' ' 61' ' ' THR . 0.7 OUTLIER -138.56 83.9 1.99 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.613 179.806 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.443 ' O ' HG23 ' A' ' 4' ' ' VAL . 27.3 m -134.22 119.93 32.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.108 0.48 . . . . 0.0 111.227 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.77 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 1.5 pt? -90.42 143.27 26.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.829 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 p -84.71 -177.25 6.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.547 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.0 ptt180 -55.64 -35.02 65.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.08 -36.92 83.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.77 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 8.6 m-20 -68.55 -57.4 5.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.486 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -58.3 -39.29 78.94 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.011 0.434 . . . . 0.0 110.195 -179.904 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -67.26 -36.24 81.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.488 178.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.914 ' HD2' HD11 ' A' ' 58' ' ' LEU . 14.8 ttm180 -68.03 -33.74 75.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.711 178.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.54 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.9 tp -64.89 -34.72 79.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.686 178.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.944 HD22 ' O ' ' A' ' 19' ' ' LEU . 12.1 mt -65.17 -41.13 94.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -57.84 -43.74 86.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.47 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.411 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 7.1 mp -80.15 -13.87 58.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.85 179.528 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.751 ' O ' ' HB1' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -90.25 -9.16 49.02 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.772 -179.628 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.78 19.07 3.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.303 0.573 . . . . 0.0 109.956 -178.444 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.944 ' O ' HD22 ' A' ' 14' ' ' LEU . 3.2 tt -112.15 110.82 53.5 Favored Pre-proline 0 N--CA 1.449 -0.489 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.804 -179.197 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.442 ' O ' HD13 ' A' ' 23' ' ' LEU . 75.2 Cg_exo -47.02 166.85 0.08 OUTLIER 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.572 2.181 . . . . 0.0 112.997 -179.001 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.18 -2.98 58.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.422 179.66 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.94 -28.35 35.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.788 0.328 . . . . 0.0 111.185 -179.26 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.681 HD21 ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -105.1 11.48 33.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.229 179.92 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.589 ' HE3' HD21 ' A' ' 14' ' ' LEU . 44.0 t-105 -55.63 96.47 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.996 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 162.29 -28.98 0.27 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.627 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.439 ' HB3' ' HB2' ' A' ' 29' ' ' ARG . 5.3 t0 -78.57 94.88 5.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.825 0.345 . . . . 0.0 110.919 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.741 ' CE1' HG11 ' A' ' 66' ' ' VAL . 44.6 t80 -49.51 -39.85 35.65 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.722 -179.583 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.15 -32.58 82.97 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.814 -0.707 . . . . 0.0 113.391 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.545 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -82.36 -46.46 13.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.725 0.263 . . . . 0.0 111.663 -179.35 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.791 ' HA ' HD13 ' A' ' 19' ' ' LEU . 14.5 ptp -58.05 -46.49 85.29 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.599 0.238 . . . . 0.0 110.863 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -62.01 -43.86 97.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.855 0.36 . . . . 0.0 110.182 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -59.45 -32.98 70.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.999 179.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.751 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -78.9 -42.78 26.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.316 179.367 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.447 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 13.4 t80 -53.2 -47.69 68.7 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.465 179.448 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.61 -37.33 68.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.54 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.4 -35.65 72.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.431 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 82.6 mm-40 -90.13 -20.95 22.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.022 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.0 m -69.25 -28.42 66.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.397 179.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.407 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 5.0 mt -73.93 -32.09 63.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.052 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.729 HD12 ' HG ' ' A' ' 41' ' ' LEU . 2.7 pp -87.67 -15.89 35.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.425 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.729 ' HG ' HD12 ' A' ' 40' ' ' LEU . 20.1 mt -95.15 3.14 55.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.403 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -76.93 130.03 77.01 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-O 120.806 0.336 . . . . 0.0 111.006 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_exo -43.82 -38.7 9.99 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.225 2.616 . . . . 0.0 113.875 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.18 -13.73 20.16 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 -179.195 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 39' ' ' LEU . 7.7 mmtm -103.75 31.0 4.69 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.832 0.349 . . . . 0.0 110.937 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 61.74 17.52 54.44 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.856 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -93.46 179.48 38.94 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.398 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.808 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.7 OUTLIER -90.03 145.78 24.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.789 0.328 . . . . 0.0 110.913 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -83.32 -35.29 25.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.934 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.36 -32.56 74.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.095 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.808 HD13 ' HB2' ' A' ' 48' ' ' SER . 6.1 mp -59.89 -56.49 21.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.68 -31.55 64.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -64.18 -29.58 70.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.81 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -43.01 35.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.52 HD11 ' CD2' ' A' ' 17' ' ' LEU . 7.7 tp -55.66 -46.44 77.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.992 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -59.23 -31.08 68.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.7 m -77.35 -53.23 7.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.933 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.914 HD11 ' HD2' ' A' ' 12' ' ' ARG . 11.1 mt -62.39 -28.34 69.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.059 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.53 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 63.2 t-105 -90.1 -24.57 21.08 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 179.507 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.462 ' HA2' ' NZ ' ' A' ' 63' ' ' LYS . . . -69.47 -65.85 2.44 Favored Glycine 0 C--N 1.335 0.508 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.962 179.217 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.718 HG23 HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -50.5 -50.15 53.63 Favored 'General case' 0 CA--C 1.513 -0.475 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 178.765 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.537 ' N ' ' CG2' ' A' ' 61' ' ' THR . 7.5 t80 -45.65 -51.35 12.39 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 113.348 -1.751 . . . . 0.0 109.359 177.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.565 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 0.2 OUTLIER -55.85 -39.05 70.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.307 -1.315 . . . . 0.0 111.333 179.747 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.438 ' HB ' ' O ' ' A' ' 61' ' ' THR . 89.0 m -47.32 -38.69 13.22 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 121.395 0.617 . . . . 0.0 109.481 179.402 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -85.72 -31.56 22.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.859 178.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.983 ' HA ' HD23 ' A' ' 69' ' ' LEU . 62.9 t -52.72 -45.44 49.04 Favored 'Isoleucine or valine' 0 C--O 1.23 0.066 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.049 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.54 -30.07 68.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.418 179.707 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -90.88 -23.48 20.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.727 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.983 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -59.85 -33.47 71.83 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.788 0.327 . . . . 0.0 110.906 -179.402 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.1 mtp-105 -76.15 1.1 16.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.057 0.456 . . . . 0.0 111.756 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.8 mtm -119.69 -42.64 2.62 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.554 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -68.97 127.99 35.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.749 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.77 85.64 2.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 72.49 158.98 4.39 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.518 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 163.29 -104.92 0.24 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.528 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 10.1 t -69.3 139.54 54.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.832 0.348 . . . . 0.0 110.958 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 155.02 -37.1 0.65 Allowed Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.551 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -157.92 106.05 2.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.771 0.319 . . . . 0.0 110.879 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.803 179.939 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.827 0.346 . . . . 0.0 111.403 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.68 122.19 6.9 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.255 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -94.53 90.08 6.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.696 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.5 m -129.84 127.56 64.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.149 0.5 . . . . 0.0 111.281 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.824 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.5 pt? -87.26 143.61 27.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.827 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 p -85.4 -174.07 5.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.403 -179.169 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.9 mtt180 -57.54 -38.57 74.93 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.689 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.03 -40.81 98.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.111 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.824 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 4.6 m-20 -64.81 -59.09 4.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.851 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.459 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -57.44 -37.9 73.57 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.985 0.422 . . . . 0.0 110.367 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -64.9 -38.11 89.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.275 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 -75.19 -34.02 61.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.141 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.631 ' O ' HD13 ' A' ' 17' ' ' LEU . 2.3 tp -62.95 -35.0 78.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.137 179.307 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.715 HD22 ' O ' ' A' ' 19' ' ' LEU . 25.4 mt -71.62 -41.54 68.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.863 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -57.04 -28.96 62.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.796 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.2 mt -89.51 -24.32 21.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.09 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.721 HD11 HD11 ' A' ' 55' ' ' LEU . 8.6 mp -87.51 -2.51 58.66 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.45 19.79 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.299 0.571 . . . . 0.0 109.902 -178.732 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.874 HD13 ' HA ' ' A' ' 30' ' ' MET . 3.0 tt -109.87 109.49 59.32 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.98 -179.282 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.414 ' O ' HD13 ' A' ' 23' ' ' LEU . 78.6 Cg_exo -46.63 169.29 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.819 2.346 . . . . 0.0 113.235 -179.071 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -90.04 -10.63 44.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.789 179.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -32.51 69.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.377 -178.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.817 HD21 HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -102.03 10.0 39.94 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.387 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.649 ' HE3' HD21 ' A' ' 14' ' ' LEU . 69.4 t-105 -50.55 108.26 0.22 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.302 179.527 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 143.32 -23.93 2.21 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.959 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.427 ' HB3' ' HB2' ' A' ' 29' ' ' ARG . 15.6 t0 -78.1 93.14 4.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.77 0.319 . . . . 0.0 111.138 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.467 ' HA ' ' HG2' ' A' ' 30' ' ' MET . 20.4 t80 -51.75 -40.97 61.21 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.936 -179.737 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.01 -37.71 93.42 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 113.44 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.427 ' HB2' ' HB3' ' A' ' 26' ' ' ASP . 2.1 mmt-85 -78.63 -37.12 42.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.73 0.265 . . . . 0.0 111.487 -179.349 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.874 ' HA ' HD13 ' A' ' 19' ' ' LEU . 12.0 ptp -68.58 -45.97 70.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.641 0.258 . . . . 0.0 110.824 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -61.02 -37.34 82.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.901 0.381 . . . . 0.0 110.306 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.98 -46.52 88.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.337 179.392 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.495 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -72.69 -32.0 65.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.829 179.683 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.484 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 14.1 t80 -63.79 -44.79 92.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.628 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.3 -42.56 96.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.857 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -65.3 -30.94 71.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.429 ' HG3' ' HA ' ' A' ' 17' ' ' LEU . 98.5 mm-40 -87.46 -22.12 25.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.055 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.5 m -76.03 -30.68 58.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.472 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.89 -35.74 69.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.905 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 pp -84.15 -13.77 51.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.197 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.731 HD22 ' HB3' ' A' ' 51' ' ' LEU . 37.0 mt -93.35 1.97 56.73 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 120.776 0.322 . . . . 0.0 110.922 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.529 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 4.8 t-80 -78.7 140.01 58.77 Favored Pre-proline 0 CA--C 1.531 0.217 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.367 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.529 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 20.2 Cg_endo -62.33 -14.96 41.83 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.82 2.346 . . . . 0.0 113.856 -178.749 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.69 -20.78 28.87 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.984 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.434 ' HD3' ' HB3' ' A' ' 42' ' ' HIS . 0.2 OUTLIER -103.12 28.66 6.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.948 0.404 . . . . 0.0 110.62 179.625 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.43 30.16 60.8 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.468 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 43' ' ' PRO . . . -105.73 163.06 14.01 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.979 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.54 158.6 16.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.992 0.425 . . . . 0.0 111.234 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -78.18 -49.65 13.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.628 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.432 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -55.6 -36.5 67.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.535 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.731 ' HB3' HD22 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -70.33 -48.56 55.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.919 0.39 . . . . 0.0 110.708 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.404 ' HE3' HD23 ' A' ' 55' ' ' LEU . 7.5 tpt -57.84 -48.93 78.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.251 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -69.16 -32.66 72.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.211 -179.638 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 1.9 mt-10 -62.28 -41.38 98.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.958 0.408 . . . . 0.0 110.521 179.612 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.721 HD11 HD11 ' A' ' 17' ' ' LEU . 37.2 tp -64.28 -51.52 63.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.935 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.11 -37.78 81.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.719 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.6 -37.95 88.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.786 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.613 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 21.0 mt -82.52 -23.58 34.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.563 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 71.1 t-105 -89.77 -18.24 26.69 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.96 -61.08 2.75 Favored Glycine 0 C--N 1.335 0.484 0 C-N-CA 120.995 -0.621 . . . . 0.0 111.702 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.561 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -55.76 -50.43 70.45 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 178.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.561 ' N ' ' CG2' ' A' ' 61' ' ' THR . 1.5 t80 -44.35 -49.1 9.69 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 113.406 -1.725 . . . . 0.0 109.481 177.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.586 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 1.8 ttmt -59.64 -34.97 73.48 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 114.237 -1.347 . . . . 0.0 111.131 179.719 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.1 m -47.23 -37.8 11.1 Favored 'General case' 0 CA--C 1.521 -0.147 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.221 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -85.61 -33.3 21.68 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.678 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.743 ' HA ' HD23 ' A' ' 69' ' ' LEU . 78.5 t -54.87 -40.59 53.41 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.747 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -63.95 -30.11 71.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.396 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -90.51 -20.55 22.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.331 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.743 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -58.6 -38.89 78.94 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.781 0.324 . . . . 0.0 110.54 -179.364 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -72.98 1.0 9.69 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.204 -0.453 . . . . 0.0 112.126 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.1 mmm -108.87 -31.11 7.8 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.519 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 33.0 m-20 -64.54 173.47 2.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.916 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -95.25 21.98 7.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -96.79 27.78 16.45 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.5 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.44 -83.59 0.1 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.497 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.1 t -72.95 140.77 47.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.909 0.385 . . . . 0.0 111.083 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -159.06 53.55 0.37 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.312 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -72.8 124.82 26.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.864 0.364 . . . . 0.0 111.108 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.877 179.829 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.4 mmt . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.85 0.357 . . . . 0.0 111.421 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -69.68 115.08 8.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.217 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.1 ptt-85 -146.87 96.43 2.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.639 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.408 ' O ' HG23 ' A' ' 4' ' ' VAL . 31.3 m -137.83 119.41 17.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.427 0.632 . . . . 0.0 111.325 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.821 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER -77.98 147.56 34.84 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.308 179.748 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.44 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 90.0 p -90.57 -177.32 5.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.136 -179.06 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.418 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . 9.6 mtt180 -54.65 -35.8 63.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.919 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.06 -36.06 77.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.615 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.821 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 17.4 m-20 -84.89 -46.03 11.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.261 -179.539 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.724 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -62.39 -35.36 78.94 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.161 179.671 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.44 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 7.7 mm-40 -68.74 -34.46 75.64 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.635 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -60.86 -32.54 71.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.833 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.635 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.7 tp -68.43 -36.25 78.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.918 179.243 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.841 HD22 ' O ' ' A' ' 19' ' ' LEU . 14.2 mt -68.53 -38.44 80.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.064 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.79 -50.46 70.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.857 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.766 HD21 HD23 ' A' ' 51' ' ' LEU . 1.9 mt -75.28 -15.66 60.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.094 179.595 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.635 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.3 mm? -90.16 -8.3 51.55 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.787 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.37 20.77 1.5 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.34 0.59 . . . . 0.0 110.229 -178.625 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.841 ' O ' HD22 ' A' ' 14' ' ' LEU . 3.6 tt -107.89 107.64 60.5 Favored Pre-proline 0 N--CA 1.449 -0.516 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.813 -179.681 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.418 ' O ' HD13 ' A' ' 23' ' ' LEU . 88.0 Cg_exo -47.22 168.31 0.07 OUTLIER 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.742 2.295 . . . . 0.0 113.143 -178.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.87 -5.01 58.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.89 179.384 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -75.71 -33.99 60.35 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.152 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.714 HD21 ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -104.4 12.96 32.8 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.346 -179.743 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.674 ' HE3' HD21 ' A' ' 14' ' ' LEU . 54.4 t-105 -55.89 105.71 0.21 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.037 179.348 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 150.33 -21.26 1.08 Allowed Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.91 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.444 ' O ' ' HG2' ' A' ' 30' ' ' MET . 21.6 t0 -84.35 108.44 17.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.663 0.231 . . . . 0.0 111.038 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.785 ' CE1' HG11 ' A' ' 66' ' ' VAL . 12.3 t80 -61.42 -40.18 93.49 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.699 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.59 -33.22 84.16 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.774 -0.727 . . . . 0.0 113.244 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.447 ' HB3' HD11 ' A' ' 19' ' ' LEU . 40.8 mtt-85 -82.99 -41.93 18.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.86 0.33 . . . . 0.0 111.669 -179.298 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.565 ' HA ' HD13 ' A' ' 19' ' ' LEU . 14.2 ptp -65.98 -49.09 69.07 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 121.323 -0.151 . . . . 0.0 111.111 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -63.3 -40.54 97.63 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.499 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 7.0 tp60 -60.51 -38.95 86.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.946 179.116 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.19 -42.35 55.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.595 179.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.479 ' CD2' ' CG ' ' A' ' 59' ' ' TRP . 11.9 t80 -51.77 -39.33 58.41 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.706 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -74.25 -42.84 59.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.975 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.499 ' HG2' ' O ' ' A' ' 32' ' ' GLN . 27.2 mm-40 -65.65 -31.93 73.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.628 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.89 ' OE1' HD21 ' A' ' 40' ' ' LEU . 97.8 mm-40 -87.31 -22.69 24.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.02 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.41 -22.07 62.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.439 179.096 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mt -83.75 -32.15 25.59 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.253 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.89 HD21 ' OE1' ' A' ' 37' ' ' GLN . 4.3 pp -85.19 -10.45 56.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.3 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.459 HD12 ' O ' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -95.09 -10.13 31.63 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.795 0.331 . . . . 0.0 110.952 179.462 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.559 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 2.4 t-80 -58.91 145.36 79.64 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.405 179.27 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.552 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 38.5 Cg_endo -67.3 -8.57 22.4 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.355 2.037 . . . . 0.0 112.755 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.435 ' HB3' ' HD2' ' A' ' 45' ' ' LYS . 2.2 t70 -88.48 -22.08 23.84 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 120.654 0.264 . . . . 0.0 110.853 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.559 ' HD3' ' HB3' ' A' ' 42' ' ' HIS . 0.2 OUTLIER -106.72 29.56 6.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.834 0.349 . . . . 0.0 110.639 179.594 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.48 66.27 2.41 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.433 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -137.29 161.91 25.31 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.413 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.689 ' HB2' HD13 ' A' ' 51' ' ' LEU . 1.1 m -90.18 133.81 34.67 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.754 0.311 . . . . 0.0 110.805 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.438 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 5.9 p80 -69.34 -28.63 66.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.892 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.58 -27.74 66.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.554 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.766 HD23 HD21 ' A' ' 16' ' ' LEU . 1.7 mp -78.27 -50.29 12.12 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.983 0.42 . . . . 0.0 111.011 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.93 -51.62 63.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.674 -179.428 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 3.0 pt20 -64.03 -26.88 68.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.631 0.253 . . . . 0.0 111.151 -179.512 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -73.44 -39.07 65.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.09 0.471 . . . . 0.0 110.451 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.454 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 13.6 tp -58.04 -42.28 85.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.267 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -62.05 -29.06 70.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.04 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.1 t -76.72 -28.4 55.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.207 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.637 HD23 HD23 ' A' ' 5' ' ' LEU . 17.4 mt -89.84 -31.45 17.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.166 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.675 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 66.0 t-105 -88.07 -17.05 31.94 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 179.622 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.42 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -78.95 -59.66 2.73 Favored Glycine 0 C--N 1.338 0.676 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.156 179.398 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.548 HG21 ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -57.08 -50.59 72.31 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 179.221 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.547 ' N ' ' CG2' ' A' ' 61' ' ' THR . 4.7 t80 -43.55 -51.09 7.02 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 113.359 -1.746 . . . . 0.0 109.311 177.713 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.675 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 1.2 ttmt -55.76 -39.45 71.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.191 -1.368 . . . . 0.0 111.162 179.304 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.428 ' HB ' ' O ' ' A' ' 61' ' ' THR . 91.5 m -48.25 -37.58 16.47 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.191 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.515 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 1.8 mm-40 -85.2 -29.94 24.3 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.793 178.529 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.876 ' HA ' HD23 ' A' ' 69' ' ' LEU . 70.3 t -56.72 -33.81 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.949 179.784 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -69.75 -35.23 74.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.712 0.291 . . . . 0.0 110.819 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.515 ' ND2' ' HA ' ' A' ' 65' ' ' GLU . 17.1 p30 -88.98 -15.28 34.58 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.338 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.876 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -59.57 -31.07 69.1 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 120.889 0.376 . . . . 0.0 110.884 179.841 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -73.91 1.06 11.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.865 -179.56 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 8.8 mmt -106.7 -31.36 8.47 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.786 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -67.94 -171.71 0.24 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.621 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.18 74.87 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.661 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -153.46 52.05 0.47 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.556 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -74.76 101.52 1.31 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.461 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 73.2 p -84.95 103.44 14.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.905 0.383 . . . . 0.0 111.139 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 64.91 -78.27 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.883 -0.675 . . . . 0.0 113.071 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.8 106.98 9.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.832 0.349 . . . . 0.0 111.455 -179.455 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.68 179.593 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 mtm . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.862 0.363 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.04 139.86 45.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.118 -179.935 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.3 ttm-85 -95.86 90.81 5.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.235 179.493 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.7 m -138.11 122.06 21.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.345 0.593 . . . . 0.0 111.512 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.808 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER -87.49 147.8 25.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.292 179.452 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.425 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 27.0 p -90.61 -174.26 4.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.436 -179.44 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.424 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 7.5 mtt180 -58.07 -39.17 77.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.656 179.893 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.37 -49.13 76.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.303 179.923 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.808 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 21.8 m-20 -64.82 -57.22 9.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.952 -179.836 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.49 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -54.12 -31.76 53.11 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.999 0.428 . . . . 0.0 110.009 179.53 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 8.7 mt-10 -65.9 -38.74 89.51 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.583 178.502 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -62.46 -30.59 71.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.905 179.195 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.741 ' O ' HD23 ' A' ' 17' ' ' LEU . 3.1 tp -70.73 -31.62 68.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.987 179.149 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.924 HD22 ' O ' ' A' ' 19' ' ' LEU . 11.7 mt -72.96 -41.12 64.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.988 179.748 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -54.61 -47.03 73.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.017 0.437 . . . . 0.0 110.526 179.667 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.582 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 18.1 mt -77.58 -15.51 59.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.074 179.685 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.742 ' CD2' HD11 ' A' ' 55' ' ' LEU . 1.3 mm? -90.44 -7.18 53.76 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -179.718 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 52.92 20.29 1.6 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.32 0.581 . . . . 0.0 110.292 -178.879 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.924 ' O ' HD22 ' A' ' 14' ' ' LEU . 3.2 tt -109.57 109.35 59.92 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.142 -179.204 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.414 ' O ' HD13 ' A' ' 23' ' ' LEU . 86.0 Cg_exo -47.99 167.92 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.752 2.302 . . . . 0.0 113.672 -178.695 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.439 ' HG3' HD12 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -88.65 -3.26 58.83 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.549 179.924 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.16 -30.6 30.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.992 0.425 . . . . 0.0 111.05 -178.947 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.703 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -106.29 13.12 29.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.479 -179.892 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.625 ' HE3' HD21 ' A' ' 14' ' ' LEU . 54.8 t-105 -53.74 96.79 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.168 179.516 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 159.16 -25.02 0.33 Allowed Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.828 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -77.26 97.28 4.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.8 0.333 . . . . 0.0 111.169 -179.832 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.722 ' CE1' HG11 ' A' ' 66' ' ' VAL . 24.9 t80 -52.48 -37.18 56.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.938 0.399 . . . . 0.0 111.473 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.451 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -63.87 -34.73 90.73 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.874 -0.679 . . . . 0.0 113.477 -179.277 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -81.23 -44.15 18.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.866 0.333 . . . . 0.0 111.721 -179.167 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.651 ' HA ' HD13 ' A' ' 19' ' ' LEU . 14.8 ptp -63.08 -46.32 87.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.63 0.252 . . . . 0.0 111.044 -179.875 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -64.86 -35.45 81.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.777 0.322 . . . . 0.0 110.509 179.748 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.451 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -61.86 -45.48 93.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 0.0 109.916 179.378 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.449 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -71.33 -43.33 67.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.577 179.493 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.441 ' HB2' HD11 ' A' ' 17' ' ' LEU . 13.1 t80 -50.76 -50.27 56.22 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-O 120.958 0.408 . . . . 0.0 110.59 179.43 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -66.05 -29.77 70.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.944 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -72.43 -51.02 22.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.106 0.479 . . . . 0.0 110.812 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.582 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 79.4 mm-40 -71.39 -17.79 62.39 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.345 -179.65 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.6 m -69.52 -31.89 70.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.988 0.423 . . . . 0.0 110.367 179.253 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.7 mt -69.61 -34.0 73.47 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.119 -179.862 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 4.4 pp -87.08 -15.7 37.76 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.625 0.25 . . . . 0.0 111.278 179.912 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.634 HD22 ' HB3' ' A' ' 51' ' ' LEU . 60.2 mt -95.11 6.16 49.83 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 120.751 0.31 . . . . 0.0 110.853 179.33 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.582 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 10.3 t-80 -89.64 143.38 30.34 Favored Pre-proline 0 C--N 1.332 -0.179 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.633 179.838 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.582 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 33.4 Cg_endo -65.33 -10.26 25.31 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.708 2.272 . . . . 0.0 113.494 -179.14 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -85.47 -18.66 32.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.682 0.277 . . . . 0.0 110.945 179.58 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt -116.3 30.93 7.04 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.794 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.48 32.52 57.62 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.706 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -105.8 161.3 14.5 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.533 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.799 ' CB ' HD13 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -90.25 147.38 23.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.701 0.286 . . . . 0.0 110.878 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -73.41 -43.15 61.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.566 179.706 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.68 -30.07 71.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.778 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.799 HD13 ' CB ' ' A' ' 48' ' ' SER . 5.8 mp -67.24 -49.44 64.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.698 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -25.85 68.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.832 179.588 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -73.3 -33.78 65.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.91 -54.21 38.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.921 -179.89 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.742 HD11 ' CD2' ' A' ' 17' ' ' LEU . 8.9 tp -58.01 -45.7 86.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.146 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.73 -39.68 81.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.962 -179.837 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 41.6 t -70.11 -46.88 63.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.898 0.38 . . . . 0.0 110.855 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.565 HD23 ' CD2' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -69.83 -25.57 63.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 179.86 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.625 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 70.6 t-105 -89.61 -11.69 41.92 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.16 179.49 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -79.49 -63.33 2.04 Favored Glycine 0 C--N 1.337 0.6 0 C-N-CA 120.917 -0.659 . . . . 0.0 111.735 179.303 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.54 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -57.07 -51.14 70.47 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 178.832 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.54 ' N ' ' CG2' ' A' ' 61' ' ' THR . 4.1 t80 -42.98 -50.05 5.92 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 113.675 -1.602 . . . . 0.0 109.36 178.033 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.625 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 4.0 ttmt -55.08 -43.78 74.24 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.45 -1.25 . . . . 0.0 111.323 179.417 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.5 m -47.14 -36.64 8.74 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.298 0.57 . . . . 0.0 109.551 179.322 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -85.43 -31.38 22.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.397 178.293 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.977 ' HA ' HD23 ' A' ' 69' ' ' LEU . 51.6 t -52.37 -34.94 19.23 Favored 'Isoleucine or valine' 0 C--O 1.231 0.122 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.812 179.538 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -69.9 -28.16 65.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.96 0.409 . . . . 0.0 110.287 179.526 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -90.99 -21.66 21.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.603 179.658 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.977 HD23 ' HA ' ' A' ' 66' ' ' VAL . 1.1 pp -58.82 -35.83 73.52 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.866 0.365 . . . . 0.0 111.015 -179.762 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.98 1.25 5.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 112.009 -179.511 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.9 mtt -107.04 -29.26 9.52 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.548 179.504 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -64.51 111.69 2.81 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 179.84 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.6 mt -113.09 23.04 13.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.228 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.67 103.17 2.48 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.479 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -160.63 69.92 0.24 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.344 -179.94 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 12.5 p -81.36 121.2 25.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.814 0.34 . . . . 0.0 110.792 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 108.68 9.42 26.79 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.625 -179.85 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -92.24 107.33 19.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.888 0.375 . . . . 0.0 110.785 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.983 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.836 0.35 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -57.65 134.42 56.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 179.926 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.02 88.64 4.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.815 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.7 m -137.66 125.66 31.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.975 179.679 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.797 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.2 pt? -88.59 149.08 23.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.325 -179.612 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.3 p -90.33 -172.18 3.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.353 -179.337 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.6 mmt85 -59.94 -36.45 77.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.349 179.562 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.82 -42.59 99.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.161 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.797 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 40.7 m-20 -63.1 -59.07 5.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.109 -179.902 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.47 ' N ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -59.55 -38.61 81.53 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.77 0.319 . . . . 0.0 110.517 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.419 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 5.2 tp10 -65.18 -27.2 68.53 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.416 179.22 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.9 tpp180 -85.29 -29.48 24.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.39 179.411 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.432 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.6 tp -70.79 -34.86 72.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.185 179.439 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.909 HD22 ' O ' ' A' ' 19' ' ' LEU . 12.8 mt -70.17 -38.65 75.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.837 179.708 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.29 -41.07 83.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.514 179.732 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.577 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 0.4 OUTLIER -79.71 -19.46 48.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.984 179.927 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.523 HD12 ' HB3' ' A' ' 33' ' ' ALA . 1.3 mm? -90.25 -6.24 55.44 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -179.804 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.86 21.47 1.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.428 0.632 . . . . 0.0 109.874 -178.727 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.909 ' O ' HD22 ' A' ' 14' ' ' LEU . 3.4 tt -109.74 110.87 59.24 Favored Pre-proline 0 N--CA 1.449 -0.487 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.661 -179.054 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.405 ' O ' HD13 ' A' ' 23' ' ' LEU . 79.3 Cg_exo -48.72 169.11 0.09 OUTLIER 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.598 2.199 . . . . 0.0 113.243 -178.863 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.469 ' HG2' HD12 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -88.96 -13.05 39.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.741 179.253 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -65.92 -36.29 82.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.071 -179.459 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.856 HD21 HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -100.77 7.89 43.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.159 179.789 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.624 ' HE3' HD21 ' A' ' 14' ' ' LEU . 60.5 t-105 -50.66 99.71 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.174 179.587 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.21 -23.93 0.59 Allowed Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.939 179.857 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.417 ' O ' ' HG2' ' A' ' 30' ' ' MET . 30.4 t0 -79.0 85.91 4.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.665 0.269 . . . . 0.0 111.181 -179.78 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.683 ' CD1' HG11 ' A' ' 66' ' ' VAL . 16.6 t80 -45.0 -40.27 6.33 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.762 -179.84 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.37 -37.8 95.39 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.855 -0.688 . . . . 0.0 113.266 -179.429 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -50.06 17.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.66 0.267 . . . . 0.0 111.53 -179.399 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.682 ' HA ' HD13 ' A' ' 19' ' ' LEU . 12.4 ptp -57.78 -48.27 80.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.324 -179.504 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -57.85 -37.59 74.16 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.93 0.395 . . . . 0.0 110.158 179.568 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -41.92 98.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.968 179.138 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.523 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -72.57 -38.97 67.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.606 179.425 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.4 ' HB2' HD11 ' A' ' 17' ' ' LEU . 10.1 t80 -54.0 -39.59 66.21 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.491 179.642 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.416 ' HA ' ' HB2' ' A' ' 38' ' ' SER . 0.9 OUTLIER -73.51 -35.84 65.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.678 179.756 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -60.22 -45.28 93.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.987 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.577 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 18.7 mp0 -83.87 -20.71 32.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.101 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.416 ' HB2' ' HA ' ' A' ' 35' ' ' LYS . 1.0 OUTLIER -72.42 -26.76 61.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.341 179.328 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.6 mt -72.57 -31.43 65.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.381 -179.72 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.9 pp -88.62 -16.5 32.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.676 0.274 . . . . 0.0 110.934 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.7 mt -95.02 1.89 55.22 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 120.863 0.363 . . . . 0.0 110.611 178.848 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.54 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 5.8 t-80 -81.55 134.5 50.99 Favored Pre-proline 0 CA--C 1.529 0.155 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.357 179.629 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.54 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 13.0 Cg_endo -57.05 -16.94 22.73 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.665 2.243 . . . . 0.0 113.277 -179.304 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.37 -20.02 32.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.577 0.227 . . . . 0.0 111.235 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -111.17 30.75 6.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.92 0.39 . . . . 0.0 110.672 179.839 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.05 49.56 74.16 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.596 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -112.28 -178.68 19.87 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.392 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.16 140.1 30.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.331 . . . . 0.0 110.861 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.48 -42.62 18.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.52 -31.68 72.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.444 -179.874 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.1 mt -70.71 -49.31 48.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.29 -34.52 33.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.211 -179.89 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.6 mm100 -74.9 -30.54 61.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.79 179.655 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.38 -57.23 8.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.79 179.821 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.449 HD11 HD23 ' A' ' 17' ' ' LEU . 11.3 tp -58.18 -33.22 69.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -62.21 -48.48 79.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.588 179.663 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 57.3 p -66.12 -45.47 80.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.587 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 13.5 mt -68.24 -27.44 66.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.24 -179.784 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.521 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 65.5 t-105 -90.3 -15.76 30.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.276 179.886 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.417 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -80.56 -63.81 1.89 Allowed Glycine 0 C--N 1.336 0.544 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.833 179.138 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.693 HG23 HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -52.91 -49.6 65.61 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 178.856 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.515 ' N ' ' CG2' ' A' ' 61' ' ' THR . 6.7 t80 -44.39 -52.29 7.85 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 113.405 -1.725 . . . . 0.0 109.433 178.023 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.602 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 2.6 ttmt -55.09 -40.67 70.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.124 -1.398 . . . . 0.0 111.205 179.564 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.459 ' HB ' ' O ' ' A' ' 61' ' ' THR . 96.5 m -49.99 -36.19 27.39 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 178.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -85.22 -31.72 23.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.157 -0.928 . . . . 0.0 109.505 178.265 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.683 HG11 ' CD1' ' A' ' 27' ' ' PHE . 72.8 t -52.05 -38.93 24.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.917 -179.872 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.19 -27.87 69.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.057 0.456 . . . . 0.0 109.877 179.086 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -90.85 -26.85 19.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.062 179.549 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.731 ' C ' HD12 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -71.69 -10.93 60.51 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.509 -179.629 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.408 ' NE ' ' HA ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -76.65 1.12 17.85 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.896 0.379 . . . . 0.0 111.986 -179.975 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.6 mtt -125.11 -60.61 1.34 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.301 179.39 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -71.66 134.91 46.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.675 179.67 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 73' ' ' LEU . 4.3 mm? -85.73 87.19 7.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.529 179.816 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 119.66 173.54 15.35 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.396 -179.796 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -126.14 -128.26 3.17 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.753 -179.836 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.1 p -76.41 113.56 14.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.921 0.391 . . . . 0.0 111.13 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 161.64 43.86 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.291 179.938 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -67.73 139.92 56.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.855 0.359 . . . . 0.0 111.072 -179.759 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.823 179.778 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.8 mtm . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 120.805 0.336 . . . . 0.0 111.437 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -77.49 132.05 38.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.961 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.7 mtt-85 -95.33 93.5 7.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.259 179.664 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.5 m -81.71 121.14 34.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.463 0.649 . . . . 0.0 111.197 -179.666 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.793 HD13 ' HB3' ' A' ' 10' ' ' LYS . 0.8 OUTLIER -90.5 140.28 29.89 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.483 179.851 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.4 p -80.67 -178.16 6.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.31 179.673 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 7' ' ' ARG . 1.0 OUTLIER -56.32 -38.92 71.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.903 179.955 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.24 -42.44 83.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.458 -179.82 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.779 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 47.2 m-20 -67.01 -52.29 44.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.242 -179.662 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.793 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.5 OUTLIER -57.26 -36.57 71.13 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.969 0.414 . . . . 0.0 110.043 179.428 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.421 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 2.0 mt-10 -69.98 -30.27 67.56 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.771 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.448 HH21 HD11 ' A' ' 58' ' ' LEU . 25.7 ttp180 -67.85 -42.62 81.08 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.59 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.486 HD13 ' HB3' ' A' ' 58' ' ' LEU . 1.5 tp -53.39 -36.36 61.36 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.911 178.921 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.654 HD22 ' O ' ' A' ' 19' ' ' LEU . 13.7 mt -64.63 -50.66 66.24 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.31 179.912 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -48.97 -31.7 7.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.326 -179.476 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 mp -82.8 -35.95 25.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.94 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.774 HD11 HD11 ' A' ' 55' ' ' LEU . 9.1 mp -78.19 3.04 16.24 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -179.808 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.85 18.62 3.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.431 0.634 . . . . 0.0 109.765 -178.72 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.807 HD13 ' HA ' ' A' ' 30' ' ' MET . 5.5 tt -114.6 104.67 54.26 Favored Pre-proline 0 N--CA 1.448 -0.526 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.08 -179.206 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.54 ' C ' HD13 ' A' ' 14' ' ' LEU . 38.6 Cg_exo -58.08 173.91 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.805 2.337 . . . . 0.0 113.346 -178.673 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.87 -11.99 54.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.776 179.029 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.09 -28.06 69.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.961 -179.49 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.765 HD21 ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -116.32 13.02 15.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.198 179.947 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.599 ' HE3' HD11 ' A' ' 14' ' ' LEU . 44.3 t-105 -52.85 104.89 0.1 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.131 179.312 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 151.19 -32.33 0.95 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.809 179.897 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -73.91 88.24 1.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 0.0 110.978 -179.815 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.499 ' CE1' HG11 ' A' ' 66' ' ' VAL . 16.0 t80 -46.95 -43.12 18.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.934 -179.69 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.22 -32.94 68.48 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.876 -0.678 . . . . 0.0 113.264 -179.36 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.01 -46.76 12.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.801 0.3 . . . . 0.0 111.634 -179.254 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.807 ' HA ' HD13 ' A' ' 19' ' ' LEU . 13.7 ptp -61.98 -44.53 96.55 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.063 -179.805 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -63.7 -43.27 97.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.864 0.364 . . . . 0.0 110.4 179.574 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -60.85 -42.06 97.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.329 179.412 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.441 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -73.82 -31.44 63.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.577 179.634 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.494 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 7.9 t80 -62.39 -46.74 87.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.449 179.6 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.98 -40.6 95.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.83 179.864 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -60.45 -29.76 69.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.715 179.878 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.417 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 9.8 mm-40 -83.96 -30.82 25.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.401 ' HA ' ' HE3' ' A' ' 52' ' ' MET . 36.8 m -57.63 -26.29 61.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.132 179.854 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.65 -43.92 21.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.471 -179.56 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.1 pp -81.63 -7.55 59.6 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -179.602 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.924 HD22 ' HB3' ' A' ' 51' ' ' LEU . 80.3 mt -91.49 5.78 48.14 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.856 0.36 . . . . 0.0 110.988 179.335 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.52 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 7.1 t-80 -89.99 131.97 37.62 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.285 179.81 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.52 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 11.7 Cg_endo -55.77 -14.99 11.8 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.478 2.119 . . . . 0.0 112.716 -179.815 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -80.1 -22.34 42.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.812 0.339 . . . . 0.0 111.066 179.704 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -109.02 30.06 6.92 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.847 -179.909 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 69.07 45.03 63.88 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.564 179.859 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -122.17 168.04 14.75 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.551 179.867 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.76 ' CB ' HD13 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -90.12 158.2 17.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.816 0.341 . . . . 0.0 110.9 -179.989 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -83.24 -50.75 8.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.874 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.54 ' HB1' ' OE2' ' A' ' 54' ' ' GLU . . . -55.2 -23.63 23.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.384 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.924 ' HB3' HD22 ' A' ' 41' ' ' LEU . 6.3 mp -66.72 -54.25 24.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.346 -179.768 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.401 ' HE3' ' HA ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -61.99 -52.92 62.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.647 -179.413 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.409 ' CG ' ' HA ' ' A' ' 50' ' ' ALA . 1.2 pp0? -58.84 -29.08 66.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.625 -179.375 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.54 ' OE2' ' HB1' ' A' ' 50' ' ' ALA . 20.6 mt-10 -81.93 -41.19 21.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 0.0 111.009 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.774 HD11 HD11 ' A' ' 17' ' ' LEU . 36.3 tp -57.03 -49.45 75.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.403 -179.524 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -58.1 -38.15 75.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.371 . . . . 0.0 111.196 -179.789 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.14 -46.22 78.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.179 -179.826 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.517 HD23 ' CD2' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -70.86 -25.53 62.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.229 -179.804 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.685 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 69.2 t-105 -88.66 -20.3 25.07 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.4 -179.941 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.51 -63.66 2.43 Favored Glycine 0 C--N 1.333 0.407 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.268 179.296 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.563 ' CG2' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -53.45 -50.47 65.22 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 179.25 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.54 ' N ' ' CG2' ' A' ' 61' ' ' THR . 2.1 t80 -43.68 -51.55 7.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 113.619 -1.628 . . . . 0.0 109.185 177.549 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.685 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 0.4 OUTLIER -56.75 -44.46 81.74 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 113.974 -1.466 . . . . 0.0 111.24 179.235 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.8 m -47.79 -36.31 11.49 Favored 'General case' 0 CA--C 1.521 -0.154 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.232 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.49 -31.97 22.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.576 178.297 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.872 ' HA ' HD23 ' A' ' 69' ' ' LEU . 44.9 t -51.86 -43.0 34.21 Favored 'Isoleucine or valine' 0 C--O 1.231 0.094 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.947 179.861 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -28.55 68.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.978 0.418 . . . . 0.0 110.095 179.398 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -91.04 -26.9 18.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.451 179.919 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.872 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -67.85 -28.07 67.23 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-O 120.654 0.264 . . . . 0.0 110.867 -179.592 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 53.7 mtp180 -82.86 1.18 40.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.173 0.511 . . . . 0.0 111.443 179.676 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.1 mtt -114.61 -28.5 7.12 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.049 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -89.17 -10.7 46.17 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.495 -179.874 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.6 tp -102.98 -21.43 13.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.753 0.311 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.44 -159.59 37.04 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.518 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -125.85 91.08 0.39 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.486 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -63.36 156.34 26.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.764 0.316 . . . . 0.0 110.953 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 159.87 46.71 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.406 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -74.85 117.56 16.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.807 0.337 . . . . 0.0 110.837 -179.798 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.824 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.995 0.426 . . . . 0.0 111.248 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -171.08 -41.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.532 -179.933 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.67 77.2 1.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.716 179.894 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 31.5 m -139.13 125.16 23.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.046 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.805 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER -89.2 144.58 26.01 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.336 0.588 . . . . 0.0 112.479 179.922 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.445 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 80.8 p -90.38 -178.58 5.39 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.12 -179.613 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.1 -37.18 53.29 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.424 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.56 -47.99 71.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.32 -179.862 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.805 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 39.7 m-20 -68.49 -52.77 28.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.206 -179.641 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.557 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -56.45 -34.68 67.09 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.052 0.453 . . . . 0.0 109.987 179.561 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.409 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 1.6 mm-40 -68.81 -33.02 73.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.489 178.68 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.4 ' HB3' ' O ' ' A' ' 9' ' ' ASP . 19.5 ttt85 -63.89 -34.85 78.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.764 179.163 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.717 ' O ' HD23 ' A' ' 17' ' ' LEU . 3.7 tp -64.52 -36.1 83.09 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.755 179.091 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.748 HD22 ' O ' ' A' ' 19' ' ' LEU . 12.1 mt -66.79 -35.35 79.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.96 179.76 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.07 -51.82 68.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.724 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.443 ' HB2' HD13 ' A' ' 55' ' ' LEU . 3.7 mm? -73.27 -12.16 60.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.75 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.717 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.6 mm? -90.29 -9.44 47.87 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -179.603 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.3 20.07 2.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.371 0.605 . . . . 0.0 109.823 -178.614 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.781 HD13 ' HA ' ' A' ' 30' ' ' MET . 2.9 tt -111.9 110.02 54.68 Favored Pre-proline 0 N--CA 1.45 -0.471 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.748 -179.219 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.461 ' O ' HD13 ' A' ' 23' ' ' LEU . 79.0 Cg_exo -47.16 168.0 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.756 2.304 . . . . 0.0 113.375 -178.787 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.551 ' HG3' HD13 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -90.4 -4.99 56.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.105 179.393 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.29 -24.45 46.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.247 -179.197 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.757 ' CD2' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -111.69 11.84 21.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.09 179.794 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.553 ' HE3' HD21 ' A' ' 14' ' ' LEU . 51.2 t-105 -51.26 116.5 2.07 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.383 179.7 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 137.33 -28.21 2.8 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.631 -0.795 . . . . 0.0 113.069 179.598 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.436 ' O ' ' HG2' ' A' ' 30' ' ' MET . 3.7 t70 -72.88 87.04 1.29 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.75 0.309 . . . . 0.0 111.112 -179.584 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.53 ' CE1' HG11 ' A' ' 66' ' ' VAL . 12.5 t80 -45.46 -42.45 10.54 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.819 -179.864 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.3 -36.92 94.06 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.831 -0.699 . . . . 0.0 113.542 -179.159 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.426 ' HB2' ' HB3' ' A' ' 26' ' ' ASP . 0.2 OUTLIER -82.01 -38.55 24.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.858 0.329 . . . . 0.0 111.657 -179.244 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.781 ' HA ' HD13 ' A' ' 19' ' ' LEU . 12.0 ptp -69.26 -46.4 67.37 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 121.049 -0.26 . . . . 0.0 110.952 -179.866 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.401 ' N ' ' HG3' ' A' ' 30' ' ' MET . 50.4 tt0 -62.75 -38.7 91.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.355 . . . . 0.0 110.161 179.593 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -60.18 -39.65 87.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.936 179.264 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.443 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -73.09 -40.48 64.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.451 179.304 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.478 ' CE2' ' CB ' ' A' ' 59' ' ' TRP . 15.4 t80 -53.08 -53.47 49.78 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.88 179.692 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.467 ' HE2' ' HD1' ' A' ' 34' ' ' TYR . 6.8 mmpt? -67.07 -27.78 67.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.931 179.762 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.91 -36.19 67.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.717 179.849 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.445 ' OE1' HD21 ' A' ' 40' ' ' LEU . 1.6 mm100 -88.8 -22.94 22.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.975 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.8 m -66.95 -29.59 69.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.687 179.721 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 17.1 mt -70.9 -47.21 60.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.344 -179.73 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.445 HD21 ' OE1' ' A' ' 37' ' ' GLN . 3.1 pp -71.48 -15.68 62.33 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.987 -179.738 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.54 HD22 ' HB3' ' A' ' 51' ' ' LEU . 16.7 mt -95.62 -9.11 33.02 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 120.73 0.3 . . . . 0.0 110.447 178.488 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.507 ' ND1' ' HD2' ' A' ' 43' ' ' PRO . 7.6 t60 -60.74 142.62 91.77 Favored Pre-proline 0 CA--C 1.531 0.231 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.46 179.702 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.507 ' HD2' ' ND1' ' A' ' 42' ' ' HIS . 35.3 Cg_endo -66.65 -10.49 28.23 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.438 2.092 . . . . 0.0 113.273 -179.392 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.94 -20.91 32.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.714 0.292 . . . . 0.0 110.894 179.695 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -107.35 27.98 8.55 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.875 0.369 . . . . 0.0 110.713 179.702 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.19 22.86 72.73 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.541 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -91.24 155.64 23.67 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.535 179.876 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.575 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -82.27 152.13 26.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.769 0.319 . . . . 0.0 110.855 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -78.79 -51.92 9.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.782 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.404 ' HA ' ' HG2' ' A' ' 53' ' ' GLN . . . -49.66 -30.25 8.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.772 -179.817 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.575 HD13 ' HB2' ' A' ' 48' ' ' SER . 0.4 OUTLIER -74.16 -52.19 13.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.322 -179.545 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -35.75 74.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.512 -179.412 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.404 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 8.1 pt20 -76.66 -28.44 56.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.117 -179.733 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.58 -46.11 70.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.843 0.354 . . . . 0.0 110.77 179.826 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.642 HD11 ' CD2' ' A' ' 17' ' ' LEU . 5.3 tp -70.96 -33.94 70.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.745 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.86 -31.99 70.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.66 179.757 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.04 -42.25 32.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.505 HD22 ' O ' ' A' ' 9' ' ' ASP . 3.2 mt -68.78 -29.03 67.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.884 179.925 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.573 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 69.8 t-105 -90.05 -20.61 23.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.072 179.558 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.427 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -74.43 -62.06 3.0 Favored Glycine 0 C--N 1.336 0.565 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.09 179.341 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.555 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -55.02 -50.17 69.7 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 179.112 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.555 ' N ' ' CG2' ' A' ' 61' ' ' THR . 3.1 t80 -44.71 -51.41 9.3 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 113.366 -1.743 . . . . 0.0 109.43 178.051 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.573 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 1.1 ttmt -55.47 -35.68 65.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.281 -1.327 . . . . 0.0 111.045 179.482 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.3 m -47.77 -39.64 18.56 Favored 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.268 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -85.24 -30.39 23.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.686 178.508 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.756 ' HA ' HD23 ' A' ' 69' ' ' LEU . 76.5 t -56.16 -51.88 57.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.146 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -54.13 -29.32 44.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.126 0.488 . . . . 0.0 110.296 179.177 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -90.94 -22.19 20.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.639 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.756 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.4 OUTLIER -65.53 -29.25 69.86 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 120.82 0.343 . . . . 0.0 110.407 -179.564 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.461 ' HA ' ' HA3' ' A' ' 74' ' ' GLY . 2.5 mtp180 -76.44 0.9 18.04 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.833 -179.699 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 18.1 mtt -99.13 -20.74 16.5 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.766 179.648 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -101.21 -63.97 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.97 -11.53 26.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.518 -179.731 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.461 ' HA3' ' HA ' ' A' ' 70' ' ' ARG . . . -81.05 -124.6 0.64 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.592 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -160.58 -126.34 0.83 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.573 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.66 138.62 38.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.952 0.406 . . . . 0.0 110.959 -179.892 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -170.02 -32.41 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.567 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -50.02 166.13 0.07 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.989 0.423 . . . . 0.0 111.362 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.808 179.785 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mmm . . . . . 0 N--CA 1.489 1.498 0 CA-C-O 120.751 0.31 . . . . 0.0 111.259 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -58.93 120.3 8.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.776 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -140.3 79.23 1.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.879 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 24.6 m -139.3 123.11 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.132 0.491 . . . . 0.0 111.623 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.819 HD12 ' HB3' ' A' ' 9' ' ' ASP . 1.6 pt? -85.48 149.88 25.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.273 179.318 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.7 p -90.11 -178.17 5.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.029 0.442 . . . . 0.0 111.875 -178.544 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.43 ' HA ' ' CG ' ' A' ' 10' ' ' LYS . 31.3 ttm180 -53.99 -33.13 56.19 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.606 179.702 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.36 -45.3 80.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.131 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.819 ' HB3' HD12 ' A' ' 5' ' ' LEU . 9.1 m-20 -68.15 -55.43 12.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.259 -179.84 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.43 ' CG ' ' HA ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -55.26 -38.67 68.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.942 0.401 . . . . 0.0 110.544 -179.787 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -72.65 -30.34 64.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.188 179.124 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.79 -31.22 56.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.082 179.432 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.504 HD21 ' CE2' ' A' ' 62' ' ' PHE . 2.9 tp -65.01 -35.12 80.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.077 179.252 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.763 HD22 ' O ' ' A' ' 19' ' ' LEU . 13.6 mt -66.98 -49.41 65.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.98 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -59.85 -21.97 61.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.156 -179.923 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 37.6 mt -89.95 -34.11 16.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.747 0.308 . . . . 0.0 111.312 -179.866 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.673 ' CD1' HD11 ' A' ' 55' ' ' LEU . 9.1 mp -84.51 0.67 48.94 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -179.784 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.96 18.05 1.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.205 0.526 . . . . 0.0 110.577 -179.277 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.763 ' O ' HD22 ' A' ' 14' ' ' LEU . 2.2 tt -99.9 110.71 60.16 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.255 -179.661 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.501 ' CB ' HD21 ' A' ' 23' ' ' LEU . 42.1 Cg_exo -50.81 -179.81 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.779 2.319 . . . . 0.0 112.964 -178.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.98 -25.25 24.38 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.517 -179.827 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.47 -10.39 11.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.897 -179.787 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.765 HD23 ' N ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -126.17 14.91 7.85 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.746 0.308 . . . . 0.0 110.85 179.708 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.712 ' HE3' HD21 ' A' ' 14' ' ' LEU . 59.3 t-105 -51.62 93.07 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.652 179.57 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.22 -19.4 4.33 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.092 -179.343 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -61.27 82.67 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.763 0.315 . . . . 0.0 110.712 179.737 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.6 ' CE1' HG11 ' A' ' 66' ' ' VAL . 5.3 t80 -45.39 -32.37 2.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.411 -179.747 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.16 -35.22 64.2 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.93 -179.789 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.526 ' HB3' HD12 ' A' ' 19' ' ' LEU . 26.4 mmt180 -85.44 -48.85 8.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.737 0.303 . . . . 0.0 111.406 -179.642 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.542 ' CA ' HD13 ' A' ' 19' ' ' LEU . 8.7 ptp -59.62 -47.7 84.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.94 -179.845 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -64.47 -45.01 89.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.831 0.348 . . . . 0.0 110.529 179.681 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -61.52 -37.39 83.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.264 179.501 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.39 -34.76 47.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.533 179.61 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.431 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 10.2 t80 -58.06 -45.14 87.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.265 179.591 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.8 -34.98 74.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.413 179.663 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -70.5 -34.84 72.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.475 179.619 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.744 ' O ' HD12 ' A' ' 41' ' ' LEU . 99.3 mm-40 -83.6 -19.94 34.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.735 179.672 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.6 m -73.54 -34.6 65.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.68 179.673 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.7 mt -65.1 -40.93 95.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.826 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.7 pp -80.59 -12.65 59.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 179.794 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.744 HD12 ' O ' ' A' ' 37' ' ' GLN . 8.6 mt -95.5 -2.67 48.17 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.269 179.543 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.486 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 6.4 t-80 -75.84 141.52 71.94 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.623 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.486 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 26.2 Cg_endo -63.06 -9.67 17.87 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.809 2.339 . . . . 0.0 113.434 -179.327 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.6 -24.33 27.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.643 0.258 . . . . 0.0 111.217 179.906 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.27 24.01 9.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.801 0.334 . . . . 0.0 111.158 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.84 -10.83 61.42 Favored Glycine 0 CA--C 1.52 0.37 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.883 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.36 164.67 29.02 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.583 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.481 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -90.2 154.85 19.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.917 0.389 . . . . 0.0 110.934 -179.948 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.436 ' CE1' ' HG3' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -83.28 -38.08 22.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.885 -179.98 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.66 -23.0 66.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.457 -179.787 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.481 HD13 ' HB2' ' A' ' 48' ' ' SER . 2.4 mp -82.27 -51.67 7.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.111 -179.755 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 10.8 tpt -55.21 -45.12 75.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.234 -179.789 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.84 -28.0 68.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.16 -45.74 38.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.673 HD11 ' CD1' ' A' ' 17' ' ' LEU . 15.0 tp -54.11 -56.18 20.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.231 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -55.55 -39.41 70.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.825 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.08 -33.9 75.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.656 179.777 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.569 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 14.2 mt -83.22 -22.24 33.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.814 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.535 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 66.6 t-105 -89.04 -18.56 27.08 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 179.425 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.448 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -77.43 -60.86 2.73 Favored Glycine 0 C--N 1.337 0.604 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.702 179.037 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.645 HG23 HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -54.74 -50.99 67.04 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 178.878 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.56 ' N ' ' CG2' ' A' ' 61' ' ' THR . 1.2 t80 -43.78 -50.99 7.59 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 113.42 -1.718 . . . . 0.0 109.534 178.084 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.576 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 2.9 ttmt -55.96 -39.9 72.44 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.199 -1.364 . . . . 0.0 111.098 179.783 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.7 m -46.91 -38.49 10.58 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.275 0.56 . . . . 0.0 109.533 179.177 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -85.5 -31.61 22.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.7 178.547 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.773 ' HA ' HD23 ' A' ' 69' ' ' LEU . 50.3 t -53.44 -47.05 59.46 Favored 'Isoleucine or valine' 0 C--O 1.231 0.083 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -60.19 -30.14 69.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.727 179.798 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 43.4 m-20 -90.65 -22.29 21.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.654 -179.832 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.773 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -57.77 -31.68 66.76 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.837 0.351 . . . . 0.0 110.722 -179.334 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.9 mtp-105 -82.98 1.47 39.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.728 -179.901 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -105.11 -25.67 12.41 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.999 179.906 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -75.65 137.57 40.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.921 179.906 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.3 mp -108.53 26.74 10.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.185 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -88.17 147.07 20.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.527 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -159.52 -133.43 1.51 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.547 -179.939 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.41 HG23 ' H ' ' A' ' 77' ' ' GLY . 1.5 t -124.1 -53.79 1.72 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.796 0.331 . . . . 0.0 110.983 179.883 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.41 ' H ' HG23 ' A' ' 76' ' ' THR . . . 61.05 -99.25 0.19 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.62 179.849 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -87.33 115.27 24.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.924 0.392 . . . . 0.0 111.096 -179.735 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.885 179.778 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.3 mtm . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 120.881 0.372 . . . . 0.0 111.326 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -74.57 128.08 34.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.884 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -94.77 88.6 5.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.782 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.9 m -133.18 125.79 51.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.229 0.538 . . . . 0.0 111.277 179.769 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.832 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.4 pt? -90.32 148.79 22.64 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.917 -179.875 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.7 p -89.09 -171.57 3.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.234 -179.365 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.85 -38.07 81.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.389 179.712 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.99 -45.69 92.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.201 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.832 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 3.5 m-20 -60.16 -58.79 7.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.961 -179.944 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.558 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -58.6 -39.31 80.06 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.862 0.363 . . . . 0.0 110.442 -179.922 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.502 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 3.9 mm-40 -67.22 -36.43 81.66 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.418 179.603 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -76.41 -34.79 58.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.003 179.436 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.599 HD13 ' HB3' ' A' ' 58' ' ' LEU . 2.5 tp -60.78 -39.22 88.01 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.678 179.051 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.715 HD21 ' HE3' ' A' ' 24' ' ' TRP . 26.8 mt -64.14 -45.25 89.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.666 179.701 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -57.02 -25.63 58.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.45 ' HB3' HD13 ' A' ' 55' ' ' LEU . 4.5 mt -90.06 -30.68 17.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.721 179.801 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.835 ' CD1' HD11 ' A' ' 55' ' ' LEU . 8.6 mp -85.4 1.34 49.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.995 179.575 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.95 20.52 1.69 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.362 0.601 . . . . 0.0 109.748 -178.656 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.811 HD13 ' HA ' ' A' ' 30' ' ' MET . 4.4 tt -107.77 108.98 62.12 Favored Pre-proline 0 N--CA 1.449 -0.504 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.204 -179.003 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.416 ' O ' HD13 ' A' ' 23' ' ' LEU . 53.5 Cg_exo -51.66 170.91 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.632 2.221 . . . . 0.0 113.009 -179.032 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.74 -7.07 55.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.07 179.236 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.8 tm0? -73.34 -32.24 64.44 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 -179.365 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.707 HD21 ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -104.06 13.12 33.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.077 179.836 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.715 ' HE3' HD21 ' A' ' 14' ' ' LEU . 62.8 t-105 -54.47 100.52 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.082 179.422 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.28 -26.22 0.88 Allowed Glycine 0 CA--C 1.52 0.386 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.903 179.827 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.409 ' O ' ' HG2' ' A' ' 30' ' ' MET . 17.4 t70 -79.81 95.39 6.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.689 0.281 . . . . 0.0 111.026 -179.762 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.786 ' CE1' HG11 ' A' ' 66' ' ' VAL . 42.6 t80 -52.14 -34.36 44.24 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.734 -179.6 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.01 -29.15 72.45 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.701 -0.761 . . . . 0.0 113.101 -179.33 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.401 ' HG3' HD12 ' A' ' 19' ' ' LEU . 3.9 tpt180 -87.11 -28.22 22.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.78 0.29 . . . . 0.0 111.75 -179.415 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.811 ' HA ' HD13 ' A' ' 19' ' ' LEU . 14.9 ptp -79.15 -42.47 26.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.682 -0.236 . . . . 0.0 110.885 179.867 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -68.9 -41.63 77.96 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 179.492 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -62.53 -42.24 99.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.053 0.454 . . . . 0.0 109.921 179.045 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.34 -37.02 63.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.564 179.553 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.459 ' CE2' ' CB ' ' A' ' 59' ' ' TRP . 12.5 t80 -60.69 -53.13 61.15 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.49 179.627 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.8 -36.53 81.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.36 179.64 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.38 -27.36 67.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.634 179.693 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.718 ' HA ' HD23 ' A' ' 40' ' ' LEU . 86.2 mm-40 -88.81 -22.7 23.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.682 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.2 m -71.21 -24.72 62.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.494 179.313 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.522 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 3.3 mt -74.28 -22.52 59.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.563 -179.706 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.718 HD23 ' HA ' ' A' ' 37' ' ' GLN . 1.4 pp -89.54 -24.36 21.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.713 0.292 . . . . 0.0 110.96 -179.842 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.493 HD22 ' HB3' ' A' ' 51' ' ' LEU . 4.5 mt -95.09 12.87 27.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.12 179.549 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.492 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 34.9 t-80 -82.96 132.16 51.84 Favored Pre-proline 0 CA--C 1.53 0.203 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.765 179.94 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.492 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 78.0 Cg_exo -41.91 -30.7 1.24 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.238 2.625 . . . . 0.0 114.422 -179.097 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.18 -18.31 50.02 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.123 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.522 ' HG3' ' O ' ' A' ' 39' ' ' LEU . 11.8 mmtm -109.49 31.17 5.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.974 0.416 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 60.43 73.93 0.43 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.452 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -138.71 154.0 22.91 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.581 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.23 149.89 22.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.772 0.32 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -75.44 -43.64 48.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.711 179.821 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.47 -23.93 18.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.252 179.853 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.493 ' HB3' HD22 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -86.71 -49.17 7.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.979 -179.99 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -42.43 81.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.207 -179.851 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -30.67 64.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.129 -179.925 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -69.64 -47.35 63.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.667 179.779 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.835 HD11 ' CD1' ' A' ' 17' ' ' LEU . 58.4 tp -62.98 -41.76 99.65 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.738 179.9 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -63.22 -41.34 99.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.674 179.698 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.0 p -65.52 -28.2 69.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.563 179.677 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.615 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 10.3 mt -83.02 -26.33 31.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.557 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 69.7 t-105 -89.0 -15.97 32.84 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 110.027 -0.361 . . . . 0.0 110.027 179.428 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -79.07 -62.4 2.22 Favored Glycine 0 C--N 1.335 0.511 0 C-N-CA 121.017 -0.611 . . . . 0.0 111.829 179.086 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.677 HG23 HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -54.63 -50.29 68.47 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 178.991 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.511 ' N ' ' CG2' ' A' ' 61' ' ' THR . 1.7 t80 -44.59 -49.32 10.23 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 113.584 -1.644 . . . . 0.0 109.644 178.15 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.557 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 2.2 ttmt -60.24 -37.23 79.71 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.171 -1.377 . . . . 0.0 111.218 179.809 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 43.1 m -46.05 -38.42 7.9 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-O 121.416 0.627 . . . . 0.0 109.492 179.28 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -85.56 -32.5 22.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.762 178.584 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.908 ' HA ' HD23 ' A' ' 69' ' ' LEU . 70.8 t -55.68 -47.97 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.935 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -55.16 -29.58 58.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.963 0.411 . . . . 0.0 110.293 179.423 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -90.88 -22.02 21.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.636 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.908 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -68.28 -14.2 62.81 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 120.753 0.311 . . . . 0.0 110.927 -179.601 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -90.83 1.37 57.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.058 0.456 . . . . 0.0 111.323 179.674 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 32.5 mtm -120.42 -26.53 5.38 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.525 -0.762 . . . . 0.0 111.319 -179.864 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -100.95 -24.63 14.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.838 0.352 . . . . 0.0 111.069 -179.937 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.416 ' HB2' ' O ' ' A' ' 69' ' ' LEU . 4.0 mp -116.1 -30.94 5.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.933 179.777 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.52 -124.13 6.54 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.468 179.94 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -124.95 -168.83 12.86 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.402 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.8 m -76.96 120.03 21.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.883 0.373 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -113.89 -41.02 0.94 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.486 -179.938 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -75.4 99.44 4.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.889 0.376 . . . . 0.0 110.697 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.79 -179.891 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mpp? . . . . . 0 N--CA 1.486 1.341 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -71.86 144.35 49.1 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.972 0.415 . . . . 0.0 110.945 179.885 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -95.15 88.21 5.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.756 -179.824 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 19.3 m -134.13 128.07 52.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 121.178 0.514 . . . . 0.0 111.652 -179.912 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.756 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.6 pt? -82.41 151.9 26.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.041 179.905 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.404 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 55.8 p -90.39 -178.99 5.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.459 -179.21 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.439 ' HG2' ' N ' ' A' ' 8' ' ' ALA . 0.1 OUTLIER -55.47 -30.95 61.52 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.889 179.525 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.439 ' N ' ' HG2' ' A' ' 7' ' ' ARG . . . -67.99 -43.58 78.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.126 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.756 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 2.0 m-20 -66.49 -57.85 6.47 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.24 -179.815 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.491 ' CD ' ' HG2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -54.13 -45.0 71.82 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.155 -179.223 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.491 ' HG2' ' CD ' ' A' ' 10' ' ' LYS . 3.8 mm-40 -67.86 -28.2 67.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.914 0.387 . . . . 0.0 110.148 179.075 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.0 ttt-85 -77.77 -42.32 34.42 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.415 179.596 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.459 ' O ' HD23 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -59.19 -30.38 68.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.11 179.222 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.704 HD22 ' O ' ' A' ' 19' ' ' LEU . 13.6 mt -66.9 -37.85 85.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.641 179.503 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -59.72 -42.44 93.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.433 179.835 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 mp -78.61 -16.93 56.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.87 179.59 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.502 ' CD2' HD11 ' A' ' 55' ' ' LEU . 0.8 OUTLIER -89.99 -6.58 55.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.666 -179.964 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 51.89 21.65 1.52 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.453 0.644 . . . . 0.0 109.863 -178.83 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.754 HD13 ' HA ' ' A' ' 30' ' ' MET . 4.6 tt -112.58 113.12 50.83 Favored Pre-proline 0 N--CA 1.45 -0.455 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.375 -179.09 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.422 ' O ' HD13 ' A' ' 23' ' ' LEU . 78.4 Cg_exo -47.07 166.08 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.761 2.307 . . . . 0.0 113.458 -178.567 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.417 ' HG2' HD12 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -90.17 -3.86 57.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.097 179.705 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -77.64 -34.01 53.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.055 0.455 . . . . 0.0 110.997 -179.252 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.67 HD22 ' C ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -101.16 11.6 39.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.478 -179.817 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.655 ' HE3' HD21 ' A' ' 14' ' ' LEU . 41.9 t-105 -52.13 101.99 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.326 179.713 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.23 -25.06 0.69 Allowed Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.614 -0.803 . . . . 0.0 113.118 179.745 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.479 ' HB3' ' HB2' ' A' ' 29' ' ' ARG . 6.0 t70 -78.4 86.21 4.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.694 0.247 . . . . 0.0 111.295 -179.595 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.828 ' CD1' HG11 ' A' ' 66' ' ' VAL . 13.2 t80 -44.28 -44.76 8.25 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.635 -179.908 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.93 -35.71 87.82 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.749 -179.793 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.479 ' HB2' ' HB3' ' A' ' 26' ' ' ASP . 10.0 ttt-85 -75.57 -54.08 7.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.751 0.31 . . . . 0.0 111.182 -179.625 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.754 ' HA ' HD13 ' A' ' 19' ' ' LEU . 13.0 ptp -58.22 -45.93 86.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.241 -179.713 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -58.68 -37.55 76.28 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.901 0.381 . . . . 0.0 110.302 179.63 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.61 -40.94 98.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.211 179.346 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.478 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -72.94 -38.04 66.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.459 179.5 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.443 ' CE2' ' CB ' ' A' ' 59' ' ' TRP . 10.8 t80 -54.85 -42.39 71.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.389 179.636 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -71.66 -29.91 65.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.793 179.815 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -66.12 -44.55 83.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.99 -179.712 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.434 ' HA ' HD21 ' A' ' 40' ' ' LEU . 2.9 mm-40 -84.92 -21.55 29.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.107 -179.948 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.9 -30.61 70.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.899 179.801 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 mt -73.79 -31.71 63.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.054 -179.785 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.499 HD12 ' HG ' ' A' ' 41' ' ' LEU . 1.7 pp -89.32 -12.89 39.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.612 -179.732 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.575 HD22 ' HB3' ' A' ' 51' ' ' LEU . 20.7 mt -94.88 -11.01 29.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.775 0.321 . . . . 0.0 110.814 179.577 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.578 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 3.2 t-80 -66.05 132.77 94.65 Favored Pre-proline 0 C--N 1.332 -0.173 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.508 179.594 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.578 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 19.6 Cg_endo -58.3 -12.42 13.29 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.629 2.22 . . . . 0.0 113.164 -179.59 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.46 -21.71 35.49 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.656 0.265 . . . . 0.0 111.295 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -109.98 28.88 8.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.85 0.357 . . . . 0.0 111.103 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.98 -11.03 63.59 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 0.0 113.039 179.69 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.94 163.37 29.64 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.631 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.508 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.9 OUTLIER -90.32 154.67 19.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.746 0.308 . . . . 0.0 110.643 179.94 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -80.2 -41.82 24.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.853 179.941 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.52 -27.94 68.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.492 -179.791 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.575 ' HB3' HD22 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -78.71 -51.11 10.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.013 -179.878 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.8 tpt -57.74 -43.46 85.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.086 -179.899 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -67.0 -33.19 75.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.761 -179.936 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -60.24 -51.25 70.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 -179.925 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.502 HD11 ' CD2' ' A' ' 17' ' ' LEU . 4.7 tp -64.03 -35.99 82.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.941 -179.906 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -61.76 -30.56 70.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.953 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.33 -34.51 25.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.236 -179.872 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.605 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 8.0 mt -77.23 -22.8 51.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.333 -179.659 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.59 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 63.5 t-105 -90.5 -21.48 21.81 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.831 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.505 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -76.66 -61.47 2.73 Favored Glycine 0 C--N 1.336 0.573 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 178.907 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.725 HG23 HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -52.58 -49.85 64.17 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 178.628 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.534 ' HB2' ' O ' ' A' ' 58' ' ' LEU . 4.1 t80 -45.34 -50.67 11.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 113.404 -1.725 . . . . 0.0 109.444 178.016 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.59 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 1.4 ttmt -56.78 -34.67 67.85 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.143 -1.389 . . . . 0.0 111.097 179.414 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.459 ' HB ' ' O ' ' A' ' 61' ' ' THR . 66.8 m -49.58 -36.2 23.21 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.887 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -85.73 -30.66 22.93 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.421 178.319 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.828 HG11 ' CD1' ' A' ' 27' ' ' PHE . 87.0 t -60.86 -35.23 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.028 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -65.17 -37.37 87.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.867 179.856 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -90.25 -13.03 36.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.584 -179.903 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.789 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -62.14 -34.77 77.01 Favored 'General case' 0 N--CA 1.461 0.104 0 CA-C-O 121.029 0.442 . . . . 0.0 110.049 -179.753 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -84.57 1.31 46.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.35 179.853 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.1 mtt -104.1 -21.1 13.63 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.154 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -90.45 -73.0 0.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.859 0.361 . . . . 0.0 110.822 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 17.1 tp -121.21 -37.86 2.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.997 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.75 41.14 8.39 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.48 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.21 -128.69 8.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.463 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.2 p -78.42 142.98 37.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.876 0.37 . . . . 0.0 110.817 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -71.68 -38.39 61.23 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.536 179.877 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -89.12 110.02 20.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.785 0.326 . . . . 0.0 110.97 -179.931 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.452 179.68 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.789 0.328 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.418 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 17.2 p-10 -143.39 -56.72 0.4 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.004 179.902 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.95 67.6 1.33 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.898 0.38 . . . . 0.0 110.521 179.824 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 4' ' ' VAL . 24.8 m -138.21 120.18 18.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.375 0.607 . . . . 0.0 111.257 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.824 ' HB3' HG21 ' A' ' 61' ' ' THR . 1.3 pt? -84.04 140.39 31.88 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.618 179.877 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.2 p -76.08 -178.22 4.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.165 -179.174 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.28 -37.46 69.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.815 179.822 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.45 -44.03 88.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.416 -179.792 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.766 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 8.7 m-20 -63.46 -58.18 7.85 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.24 -179.676 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -58.28 -32.83 68.78 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.863 0.363 . . . . 0.0 110.655 -179.825 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.414 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.8 OUTLIER -71.67 -33.37 68.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.988 179.098 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.9 -31.4 69.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.274 179.46 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.774 ' O ' HD23 ' A' ' 17' ' ' LEU . 5.5 tp -65.75 -37.28 85.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.956 179.229 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.869 HD22 ' O ' ' A' ' 19' ' ' LEU . 11.5 mt -66.85 -39.58 87.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.117 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -54.26 -52.98 59.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.817 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.779 HD21 HD23 ' A' ' 51' ' ' LEU . 3.4 mt -73.84 -12.14 60.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.044 179.745 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.774 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.3 mm? -90.2 -12.91 36.69 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -179.581 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 54.07 20.87 2.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.471 0.653 . . . . 0.0 109.915 -178.542 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.869 ' O ' HD22 ' A' ' 14' ' ' LEU . 2.4 tt -106.95 112.87 63.12 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.17 -178.971 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.435 ' HB2' HD12 ' A' ' 23' ' ' LEU . 71.9 Cg_exo -48.33 168.52 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.701 2.267 . . . . 0.0 113.522 -178.816 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.498 ' HG3' ' CD1' ' A' ' 14' ' ' LEU . 1.5 ttp180 -88.49 -2.8 58.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.577 179.856 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.49 -28.08 25.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.927 0.394 . . . . 0.0 111.595 -178.558 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.781 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -108.98 16.37 22.67 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.039 179.964 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.598 ' HE3' HD21 ' A' ' 14' ' ' LEU . 65.9 t-105 -51.29 -20.38 1.64 Allowed 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.569 179.37 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.31 -11.39 80.66 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 113.041 179.94 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -83.5 121.18 26.86 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.764 0.316 . . . . 0.0 111.022 -179.921 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -78.42 -45.23 22.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.304 -179.83 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.478 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -59.69 -31.77 72.25 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.921 -179.572 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.783 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -77.55 -48.05 17.95 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -179.363 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.852 ' HA ' HD13 ' A' ' 19' ' ' LEU . 7.5 ptp -56.36 -53.47 57.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.452 -179.406 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -61.08 -34.68 75.31 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.743 0.306 . . . . 0.0 110.757 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.478 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -59.21 -45.01 92.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.658 179.697 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.604 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -71.95 -36.68 69.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.807 179.792 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.475 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 8.0 t80 -54.54 -42.93 71.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.579 179.729 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -80.35 -33.44 37.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.74 179.777 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.9 tm0? -66.7 -36.22 81.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.872 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 62.5 mm-40 -87.22 -20.93 26.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.219 -179.89 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 85.2 p -67.44 -28.09 67.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.915 0.388 . . . . 0.0 110.613 179.416 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 17.2 mt -73.19 -33.9 65.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.189 -179.867 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.728 HD12 ' HG ' ' A' ' 41' ' ' LEU . 2.9 pp -84.97 -15.68 43.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.761 0.315 . . . . 0.0 110.955 179.68 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.728 ' HG ' HD12 ' A' ' 40' ' ' LEU . 12.7 mt -95.49 -14.29 23.81 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 120.927 0.394 . . . . 0.0 110.534 178.673 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.608 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 4.3 t-80 -61.22 147.16 87.41 Favored Pre-proline 0 CA--C 1.531 0.223 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.675 179.899 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.608 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 39.0 Cg_endo -67.95 -9.1 24.59 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.617 2.211 . . . . 0.0 113.357 -179.366 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.74 -23.75 21.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.676 0.274 . . . . 0.0 110.915 179.835 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.55 ' HD3' ' HB3' ' A' ' 42' ' ' HIS . 0.1 OUTLIER -101.83 30.93 4.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.818 0.342 . . . . 0.0 110.842 179.931 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.29 23.76 68.49 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.757 179.868 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -91.69 169.45 32.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.351 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.436 ' HB2' HD13 ' A' ' 51' ' ' LEU . 3.2 m -90.38 145.28 25.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 110.791 179.883 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.421 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 12.7 p80 -80.51 -40.87 25.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.037 -179.796 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.1 -37.63 67.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.477 -179.85 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.779 HD23 HD21 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -66.97 -51.56 53.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.232 -179.782 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -31.72 39.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.226 -179.619 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 15.7 mm-40 -74.83 -38.22 62.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.972 0.415 . . . . 0.0 110.698 179.841 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -36.81 85.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.822 179.919 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.512 HD11 HD21 ' A' ' 17' ' ' LEU . 11.2 tp -67.49 -46.67 72.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -59.54 -24.42 63.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.167 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.8 t -78.46 -39.13 39.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.515 -179.627 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.641 HD22 HD12 ' A' ' 5' ' ' LEU . 81.0 mt -78.18 -28.39 48.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.294 -179.607 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.553 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 73.1 t-105 -83.45 -25.4 31.24 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.538 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.84 -61.65 3.96 Favored Glycine 0 C--N 1.334 0.448 0 C-N-CA 120.957 -0.639 . . . . 0.0 111.894 179.066 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.824 HG21 ' HB3' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -51.96 -49.54 62.99 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 178.58 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.525 ' N ' ' CG2' ' A' ' 61' ' ' THR . 1.2 t80 -46.97 -51.32 17.33 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 113.089 -1.869 . . . . 0.0 109.411 177.728 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.581 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 0.3 OUTLIER -60.18 -32.89 71.5 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 114.247 -1.342 . . . . 0.0 111.061 179.818 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.432 ' HB ' ' O ' ' A' ' 61' ' ' THR . 38.9 m -49.13 -37.36 21.7 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.056 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -85.6 -30.96 22.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.648 178.075 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 1.01 ' HA ' HD23 ' A' ' 69' ' ' LEU . 96.7 t -59.82 -35.86 62.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.929 179.868 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -67.7 -38.85 84.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.0 p30 -89.3 -14.87 34.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.593 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 1.01 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -58.54 -39.51 80.39 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.828 0.347 . . . . 0.0 110.486 179.937 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 63.3 mtm-85 -73.51 0.79 11.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.854 -179.82 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 27.6 mtp -108.45 -27.56 9.86 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.735 179.8 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -91.13 90.06 7.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.15 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.463 ' HG ' ' N ' ' A' ' 74' ' ' GLY . 1.4 pt? -141.91 -38.39 0.39 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 179.714 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.463 ' N ' ' HG ' ' A' ' 73' ' ' LEU . . . -140.53 -166.39 10.66 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.344 179.856 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 117.21 -99.66 0.84 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.587 179.903 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.1 p -72.2 113.65 9.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.761 0.315 . . . . 0.0 110.84 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -74.68 -43.64 28.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.299 179.841 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -89.63 98.92 12.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.844 0.354 . . . . 0.0 110.722 179.934 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.85 -179.955 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.789 0.328 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.418 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 17.2 p-10 -143.39 -56.72 0.4 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.004 179.902 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.95 67.6 1.33 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.898 0.38 . . . . 0.0 110.521 179.824 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 4' ' ' VAL . 24.8 m -138.21 120.18 18.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.375 0.607 . . . . 0.0 111.257 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.824 ' HB3' HG21 ' A' ' 61' ' ' THR . 1.3 pt? -84.04 140.39 31.88 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.618 179.877 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.2 p -76.08 -178.22 4.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.165 -179.174 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.28 -37.46 69.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.815 179.822 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.45 -44.03 88.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.416 -179.792 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.766 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 8.7 m-20 -63.46 -58.18 7.85 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.24 -179.676 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -58.28 -32.83 68.78 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.863 0.363 . . . . 0.0 110.655 -179.825 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.414 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.8 OUTLIER -71.67 -33.37 68.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.988 179.098 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.9 -31.4 69.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.274 179.46 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.774 ' O ' HD23 ' A' ' 17' ' ' LEU . 5.5 tp -65.75 -37.28 85.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.956 179.229 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.869 HD22 ' O ' ' A' ' 19' ' ' LEU . 11.5 mt -66.85 -39.58 87.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.117 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -54.26 -52.98 59.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.817 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.779 HD21 HD23 ' A' ' 51' ' ' LEU . 3.4 mt -73.84 -12.14 60.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.044 179.745 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.774 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.3 mm? -90.2 -12.91 36.69 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -179.581 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 54.07 20.87 2.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.471 0.653 . . . . 0.0 109.915 -178.542 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.869 ' O ' HD22 ' A' ' 14' ' ' LEU . 2.4 tt -106.95 112.87 63.12 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.17 -178.971 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.435 ' HB2' HD12 ' A' ' 23' ' ' LEU . 71.9 Cg_exo -48.33 168.52 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.701 2.267 . . . . 0.0 113.522 -178.816 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.498 ' HG3' ' CD1' ' A' ' 14' ' ' LEU . 1.5 ttp180 -88.49 -2.8 58.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.577 179.856 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.49 -28.08 25.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.927 0.394 . . . . 0.0 111.595 -178.558 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.781 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -108.98 16.37 22.67 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.039 179.964 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.598 ' HE3' HD21 ' A' ' 14' ' ' LEU . 65.9 t-105 -51.29 -20.38 1.64 Allowed 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.569 179.37 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.31 -11.39 80.66 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 113.041 179.94 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -83.5 121.18 26.86 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.764 0.316 . . . . 0.0 111.022 -179.921 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -78.42 -45.23 22.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.304 -179.83 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.478 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -59.69 -31.77 72.25 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.921 -179.572 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.783 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -77.55 -48.05 17.95 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -179.363 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.852 ' HA ' HD13 ' A' ' 19' ' ' LEU . 7.5 ptp -56.36 -53.47 57.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.452 -179.406 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -61.08 -34.68 75.31 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.743 0.306 . . . . 0.0 110.757 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.478 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -59.21 -45.01 92.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.658 179.697 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.604 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -71.95 -36.68 69.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.807 179.792 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.475 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 8.0 t80 -54.54 -42.93 71.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.579 179.729 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -80.35 -33.44 37.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.74 179.777 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.9 tm0? -66.7 -36.22 81.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.872 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 62.5 mm-40 -87.22 -20.93 26.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.219 -179.89 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 85.2 p -67.44 -28.09 67.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.915 0.388 . . . . 0.0 110.613 179.416 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 17.2 mt -73.19 -33.9 65.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.189 -179.867 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.728 HD12 ' HG ' ' A' ' 41' ' ' LEU . 2.9 pp -84.97 -15.68 43.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.761 0.315 . . . . 0.0 110.955 179.68 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.728 ' HG ' HD12 ' A' ' 40' ' ' LEU . 12.7 mt -95.49 -14.29 23.81 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 120.927 0.394 . . . . 0.0 110.534 178.673 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.608 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 4.3 t-80 -61.22 147.16 87.41 Favored Pre-proline 0 CA--C 1.531 0.223 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.675 179.899 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.608 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 39.0 Cg_endo -67.95 -9.1 24.59 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.617 2.211 . . . . 0.0 113.357 -179.366 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.74 -23.75 21.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.676 0.274 . . . . 0.0 110.915 179.835 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.55 ' HD3' ' HB3' ' A' ' 42' ' ' HIS . 0.1 OUTLIER -101.83 30.93 4.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.818 0.342 . . . . 0.0 110.842 179.931 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.29 23.76 68.49 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.757 179.868 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -91.69 169.45 32.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.351 179.912 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.436 ' HB2' HD13 ' A' ' 51' ' ' LEU . 3.2 m -90.38 145.28 25.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 110.791 179.883 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.421 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 12.7 p80 -80.51 -40.87 25.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.037 -179.796 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.1 -37.63 67.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.477 -179.85 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.779 HD23 HD21 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -66.97 -51.56 53.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.232 -179.782 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -31.72 39.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.226 -179.619 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 15.7 mm-40 -74.83 -38.22 62.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.972 0.415 . . . . 0.0 110.698 179.841 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -36.81 85.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.822 179.919 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.512 HD11 HD21 ' A' ' 17' ' ' LEU . 11.2 tp -67.49 -46.67 72.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -59.54 -24.42 63.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.167 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.8 t -78.46 -39.13 39.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.515 -179.627 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.641 HD22 HD12 ' A' ' 5' ' ' LEU . 81.0 mt -78.18 -28.39 48.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.294 -179.607 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.553 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 73.1 t-105 -83.45 -25.4 31.24 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.538 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.84 -61.65 3.96 Favored Glycine 0 C--N 1.334 0.448 0 C-N-CA 120.957 -0.639 . . . . 0.0 111.894 179.066 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.824 HG21 ' HB3' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -51.96 -49.54 62.99 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 178.58 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.525 ' N ' ' CG2' ' A' ' 61' ' ' THR . 1.2 t80 -46.97 -51.32 17.33 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 113.089 -1.869 . . . . 0.0 109.411 177.728 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.581 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 0.3 OUTLIER -60.18 -32.89 71.5 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 114.247 -1.342 . . . . 0.0 111.061 179.818 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.432 ' HB ' ' O ' ' A' ' 61' ' ' THR . 38.9 m -49.13 -37.36 21.7 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.056 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -85.6 -30.96 22.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.648 178.075 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 1.01 ' HA ' HD23 ' A' ' 69' ' ' LEU . 96.7 t -59.82 -35.86 62.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.929 179.868 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -67.7 -38.85 84.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.0 p30 -89.3 -14.87 34.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.593 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 1.01 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -58.54 -39.51 80.39 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.828 0.347 . . . . 0.0 110.486 179.937 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 63.3 mtm-85 -73.51 0.79 11.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.854 -179.82 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 27.6 mtp -108.45 -27.56 9.86 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.735 179.8 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -91.13 90.06 7.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.15 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.463 ' HG ' ' N ' ' A' ' 74' ' ' GLY . 1.4 pt? -141.91 -38.39 0.39 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 179.714 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.463 ' N ' ' HG ' ' A' ' 73' ' ' LEU . . . -140.53 -166.39 10.66 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.344 179.856 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 117.21 -99.66 0.84 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.587 179.903 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.1 p -72.2 113.65 9.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.761 0.315 . . . . 0.0 110.84 -179.934 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -74.68 -43.64 28.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.299 179.841 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -89.63 98.92 12.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.844 0.354 . . . . 0.0 110.722 179.934 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.85 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.4 mtt . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.754 0.312 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -64.99 140.14 58.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -106.27 75.72 1.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.782 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 19.6 m -121.95 129.16 75.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 121.16 0.505 . . . . 0.0 111.138 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.826 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.5 pt? -87.46 151.22 23.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.232 -179.721 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.1 p -90.05 -176.9 5.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.557 -179.17 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -33.42 64.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.794 179.844 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.78 -46.52 71.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.458 -179.731 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.826 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 37.5 m-20 -59.52 -59.77 4.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.23 -179.699 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.649 ' N ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -53.39 -37.7 62.7 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 121.119 0.485 . . . . 0.0 110.141 179.918 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.414 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 4.8 tt0 -70.91 -34.7 71.8 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.931 178.949 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.478 ' O ' HD12 ' A' ' 16' ' ' LEU . 1.0 OUTLIER -73.66 -40.25 63.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.608 179.651 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.502 ' O ' HD13 ' A' ' 17' ' ' LEU . 2.6 tp -58.66 -40.57 83.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.694 179.666 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.759 HD11 ' CE3' ' A' ' 24' ' ' TRP . 48.8 mt -67.23 -41.82 85.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.144 179.933 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -54.55 -29.17 50.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.942 0.401 . . . . 0.0 110.45 179.757 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.633 ' CD2' HD23 ' A' ' 51' ' ' LEU . 1.3 mt -90.11 -23.98 21.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.945 179.673 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.614 HD11 HD11 ' A' ' 55' ' ' LEU . 8.9 mp -89.96 -2.41 58.15 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 179.823 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.422 ' HD3' ' OE1' ' A' ' 37' ' ' GLN . 0.3 OUTLIER 52.83 20.52 1.63 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.411 0.624 . . . . 0.0 110.018 -178.477 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.877 HD13 ' HA ' ' A' ' 30' ' ' MET . 3.0 tt -106.99 108.57 62.23 Favored Pre-proline 0 N--CA 1.448 -0.55 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.843 -179.418 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -49.26 174.34 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 123.166 2.578 . . . . 0.0 114.207 -178.471 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.47 ' HG3' ' CD1' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -89.8 -15.07 33.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.643 179.067 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -66.67 -34.54 78.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.59 -178.709 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.85 HD21 HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -103.14 8.37 38.64 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.205 -179.952 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.759 ' CE3' HD11 ' A' ' 14' ' ' LEU . 54.5 t-105 -53.88 90.31 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.241 179.438 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 169.09 -32.1 0.17 Allowed Glycine 0 CA--C 1.518 0.25 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.83 179.892 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -80.34 91.44 5.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.84 0.352 . . . . 0.0 111.153 -179.679 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.793 ' CE1' HG11 ' A' ' 66' ' ' VAL . 42.9 t80 -50.44 -39.55 47.89 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.458 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.64 -29.56 72.31 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.81 -179.782 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -83.14 -49.54 9.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.653 0.263 . . . . 0.0 111.212 -179.685 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.877 ' HA ' HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -66.22 -39.03 89.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.265 -179.986 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -65.08 -44.51 88.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.802 0.334 . . . . 0.0 110.633 179.714 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -62.06 -39.72 93.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.351 179.494 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.93 -28.77 63.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.656 179.562 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -60.48 -45.9 92.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.638 179.671 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -71.84 -27.97 63.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.97 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -72.53 -39.31 67.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.795 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.512 ' HA ' HD21 ' A' ' 40' ' ' LEU . 6.6 mm100 -75.03 -19.74 59.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.933 179.677 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.1 m -71.26 -30.01 65.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.784 179.856 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.9 mt -71.77 -31.95 67.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.32 -179.77 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.512 HD21 ' HA ' ' A' ' 37' ' ' GLN . 1.5 pp -89.05 -17.1 30.02 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.409 -179.668 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.9 mt -95.28 9.45 39.77 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.755 0.312 . . . . 0.0 110.844 178.926 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 -88.76 132.09 39.57 Favored Pre-proline 0 CA--C 1.53 0.189 0 CA-C-O 120.915 0.388 . . . . 0.0 111.043 -179.739 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_exo -43.59 -31.38 3.19 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 123.17 2.58 . . . . 0.0 113.919 -179.474 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.95 -19.29 52.09 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -179.287 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -114.87 31.06 6.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.879 0.371 . . . . 0.0 110.66 179.692 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 62.98 102.24 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.421 -179.821 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -175.78 164.57 34.8 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.444 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.467 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -90.05 153.88 20.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.938 0.399 . . . . 0.0 110.934 -179.808 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -83.08 -37.49 23.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.846 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.424 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -62.29 -28.19 69.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.227 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.633 HD23 ' CD2' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -74.49 -48.64 26.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.039 0.447 . . . . 0.0 110.808 -179.982 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -37.33 72.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.466 -179.644 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -81.2 -39.28 25.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.267 -179.653 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 0.5 OUTLIER -65.99 -32.96 74.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.949 0.404 . . . . 0.0 110.361 179.615 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.614 HD11 HD11 ' A' ' 17' ' ' LEU . 10.1 tp -67.76 -47.03 70.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.693 179.9 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -58.21 -43.5 87.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 179.931 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.49 -31.53 72.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.598 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 9.8 mt -81.11 -27.34 35.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.046 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.523 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 68.7 t-105 -87.38 -27.13 22.97 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.761 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.438 ' HA2' ' NZ ' ' A' ' 63' ' ' LYS . . . -68.26 -64.05 3.3 Favored Glycine 0 C--N 1.333 0.405 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.015 179.105 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.695 HG23 HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -51.4 -49.65 61.18 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 178.821 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.502 ' N ' ' CG2' ' A' ' 61' ' ' THR . 2.2 t80 -46.44 -51.57 14.87 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 113.412 -1.722 . . . . 0.0 109.43 178.058 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.574 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 0.1 OUTLIER -58.41 -35.64 72.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.331 -1.304 . . . . 0.0 111.108 179.811 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.446 ' HB ' ' O ' ' A' ' 61' ' ' THR . 58.4 m -50.51 -37.05 36.92 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 178.803 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -85.15 -30.76 23.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.499 178.541 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 1.042 ' HA ' HD23 ' A' ' 69' ' ' LEU . 72.9 t -55.38 -36.87 42.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.291 -179.891 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -67.88 -38.52 83.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.965 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -89.51 -10.2 47.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.846 -179.616 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 1.042 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -67.41 -35.37 79.15 Favored 'General case' 0 N--CA 1.461 0.102 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.886 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -77.44 0.76 21.38 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.49 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.08 -25.11 11.28 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.672 179.534 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 36.6 m-20 -60.63 93.69 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.029 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.77 87.27 7.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.773 179.873 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -115.97 50.55 0.78 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.675 -179.944 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -160.15 -106.82 0.22 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.494 179.934 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.0 m -67.24 150.95 48.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.359 . . . . 0.0 111.018 -179.952 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -175.78 36.27 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.503 -179.922 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -61.99 160.58 12.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 0.0 110.883 -179.865 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.782 179.978 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 ttm . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 120.924 0.392 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.2 129.76 37.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.792 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.3 85.52 4.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.604 179.732 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.6 m -137.27 125.2 32.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.177 0.513 . . . . 0.0 111.006 179.951 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.776 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.2 pt? -86.01 145.7 26.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.976 -179.749 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.9 p -89.99 -174.63 4.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.491 -179.182 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 7' ' ' ARG . 1.5 mmt-85 -55.74 -37.28 68.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.803 179.844 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.03 -39.29 93.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.429 -179.855 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.776 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 1.7 m-20 -69.96 -57.09 5.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.164 -179.796 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.504 ' HD3' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -54.44 -39.99 67.93 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.826 0.346 . . . . 0.0 110.781 -179.627 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.504 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 16.8 tp10 -70.73 -34.54 71.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.025 179.246 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.7 ttt85 -70.14 -40.53 74.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.802 179.274 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.555 ' O ' HD23 ' A' ' 17' ' ' LEU . 1.6 tp -60.25 -31.42 70.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.863 179.018 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.861 HD22 ' O ' ' A' ' 19' ' ' LEU . 12.1 mt -69.42 -37.67 77.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.769 179.644 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -56.35 -46.23 80.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.751 179.865 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.506 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 1.1 mt -77.61 -15.07 59.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.98 179.696 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.675 ' O ' ' HB1' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -90.14 -10.0 46.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.904 -179.784 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.38 19.55 3.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.309 0.576 . . . . 0.0 109.758 -178.451 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.887 HD13 ' HA ' ' A' ' 30' ' ' MET . 3.5 tt -112.67 110.56 52.3 Favored Pre-proline 0 N--CA 1.451 -0.401 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.941 -179.074 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.42 ' O ' HD13 ' A' ' 23' ' ' LEU . 73.4 Cg_exo -48.21 169.15 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.768 2.312 . . . . 0.0 113.402 -178.833 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.32 -5.56 56.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.001 179.117 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -73.89 -35.63 64.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.115 0.483 . . . . 0.0 110.722 -179.393 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.724 HD21 ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -101.28 11.38 39.4 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.268 179.894 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.653 ' HE3' HD21 ' A' ' 14' ' ' LEU . 58.9 t-105 -53.36 98.32 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.321 179.576 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.72 -24.53 0.56 Allowed Glycine 0 C--N 1.33 0.241 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.794 179.822 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.431 ' HB3' ' HB2' ' A' ' 29' ' ' ARG . 27.4 t0 -80.37 91.57 5.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.694 0.283 . . . . 0.0 111.113 -179.781 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.502 ' CE1' HG11 ' A' ' 66' ' ' VAL . 40.0 t80 -47.09 -47.25 23.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.806 -179.729 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.94 -35.71 77.18 Favored Glycine 0 CA--C 1.517 0.187 0 C-N-CA 120.849 -0.691 . . . . 0.0 113.381 -179.306 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.431 ' HB2' ' HB3' ' A' ' 26' ' ' ASP . 0.2 OUTLIER -78.96 -45.61 20.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.796 0.298 . . . . 0.0 111.468 -179.42 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.887 ' HA ' HD13 ' A' ' 19' ' ' LEU . 13.9 ptp -61.42 -42.87 99.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.586 0.231 . . . . 0.0 110.971 -179.789 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -63.39 -39.36 94.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.94 0.4 . . . . 0.0 110.391 179.722 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -59.92 -33.89 72.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.171 179.484 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.675 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -81.33 -43.15 19.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.554 179.498 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.604 ' HB2' HD11 ' A' ' 17' ' ' LEU . 13.6 t80 -54.23 -40.97 68.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.981 179.83 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -73.75 -38.96 64.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.635 179.623 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -59.38 -37.61 78.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.203 179.595 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 12.9 mm100 -87.22 -19.56 28.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.138 179.667 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.4 m -72.98 -39.23 66.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.938 0.399 . . . . 0.0 110.676 179.662 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.426 ' O ' ' HD3' ' A' ' 45' ' ' LYS . 0.5 OUTLIER -68.16 -27.1 66.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.398 -179.716 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.519 HD12 ' HG ' ' A' ' 41' ' ' LEU . 4.3 pp -90.14 -15.93 30.58 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.971 -0.291 . . . . 0.0 111.207 179.638 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.738 ' CD2' HD13 ' A' ' 51' ' ' LEU . 7.5 mt -95.42 5.72 50.86 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.167 179.299 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.472 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 20.1 t-80 -85.95 139.52 34.92 Favored Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.618 -0.264 . . . . 0.0 110.396 179.619 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.467 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 87.9 Cg_exo -45.41 -41.54 17.82 Favored 'Trans proline' 0 CA--C 1.528 0.208 0 C-N-CA 122.798 2.332 . . . . 0.0 112.892 -179.797 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.0 -10.93 60.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.712 -179.479 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.472 ' HD3' ' HB3' ' A' ' 42' ' ' HIS . 0.2 OUTLIER -118.36 31.08 6.86 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.82 0.343 . . . . 0.0 111.092 -179.825 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.0 21.64 69.87 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.895 179.738 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -96.68 166.61 23.96 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.468 179.835 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.636 ' HB2' HD12 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -90.28 153.01 20.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.949 0.404 . . . . 0.0 111.012 -179.836 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.29 -49.27 11.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.675 179.757 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.7 -26.94 64.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.183 179.936 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.738 HD13 ' CD2' ' A' ' 41' ' ' LEU . 7.2 mt -71.24 -51.34 25.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.046 179.955 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.434 ' O ' ' HB2' ' A' ' 56' ' ' ASN . 3.0 tpt -51.54 -34.07 34.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.984 -179.93 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -80.38 -30.83 37.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.596 179.696 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -66.71 -54.23 25.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.887 179.879 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.518 HD11 ' CD2' ' A' ' 17' ' ' LEU . 9.3 tp -61.41 -42.47 98.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.74 180.0 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 52' ' ' MET . 1.2 t-20 -62.22 -35.44 78.9 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.86 0.362 . . . . 0.0 110.438 179.679 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.6 m -63.3 -40.52 97.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.512 179.66 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.614 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 3.7 mt -77.82 -29.21 50.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.612 179.556 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.657 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 70.8 t-105 -83.14 -10.2 58.78 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.077 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.467 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -85.58 -57.32 2.21 Favored Glycine 0 C--N 1.338 0.649 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 178.502 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.647 HG23 HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -58.54 -50.62 73.11 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 178.104 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.541 ' N ' ' CG2' ' A' ' 61' ' ' THR . 4.0 t80 -46.28 -48.39 18.08 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 113.55 -1.659 . . . . 0.0 109.174 177.87 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.657 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 3.5 ttmt -60.23 -36.89 78.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.264 -1.335 . . . . 0.0 111.252 179.649 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.7 m -47.17 -37.93 10.98 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.36 0.6 . . . . 0.0 109.4 179.566 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -85.47 -31.79 22.62 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.186 -0.916 . . . . 0.0 109.509 178.175 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.94 ' HA ' HD23 ' A' ' 69' ' ' LEU . 74.8 t -56.17 -40.46 65.06 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.061 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.852 179.637 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -62.34 -31.41 72.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.484 179.764 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -90.78 -23.65 20.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.643 -179.804 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.94 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -57.32 -38.47 74.11 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.762 0.315 . . . . 0.0 111.067 -179.453 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.8 mtp85 -75.4 0.86 15.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.866 -179.865 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.4 mtt -115.84 -30.33 6.12 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.948 179.846 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -61.75 143.14 56.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 179.909 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.18 -57.04 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.761 179.837 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 61.89 38.66 96.37 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.569 179.899 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -154.26 53.58 0.44 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.705 -179.95 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.98 132.27 38.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.877 0.37 . . . . 0.0 110.621 179.873 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -85.73 28.73 4.8 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.545 179.799 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -72.97 141.37 47.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.729 0.3 . . . . 0.0 110.814 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.746 0.308 . . . . 0.0 111.213 . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -72.76 117.84 14.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.576 179.704 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.97 87.38 3.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.799 -179.844 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.9 m -129.29 128.13 66.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.191 179.97 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.838 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.1 pt? -90.22 146.3 24.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.478 -179.659 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 p -90.55 -175.27 4.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.975 -179.922 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.411 ' O ' ' HD2' ' A' ' 10' ' ' LYS . 5.3 mtt180 -54.28 -42.35 69.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 179.723 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.14 -40.96 82.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.238 -179.882 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.838 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 1.1 m-20 -66.42 -58.18 5.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.464 -179.649 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.571 ' N ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -60.89 -42.73 98.56 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.773 0.321 . . . . 0.0 110.625 -179.532 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.424 ' HG2' ' HD2' ' A' ' 10' ' ' LYS . 1.3 mm-40 -61.79 -26.1 67.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.31 179.15 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -86.75 -34.5 19.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.402 179.467 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.566 ' O ' HD23 ' A' ' 17' ' ' LEU . 1.6 tp -65.32 -32.38 74.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.896 179.111 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.77 HD22 ' O ' ' A' ' 19' ' ' LEU . 12.5 mt -68.86 -37.17 78.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.709 179.713 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -56.64 -53.63 55.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.663 179.832 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.75 -12.8 61.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.937 179.479 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.608 ' CD2' HD11 ' A' ' 55' ' ' LEU . 0.6 OUTLIER -90.15 -9.35 48.59 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.708 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.68 19.85 1.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.278 0.561 . . . . 0.0 110.042 -178.815 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.827 HD13 ' HA ' ' A' ' 30' ' ' MET . 3.6 tt -113.08 111.26 50.67 Favored Pre-proline 0 N--CA 1.452 -0.368 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.672 -179.286 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.446 ' O ' HD13 ' A' ' 23' ' ' LEU . 85.6 Cg_exo -46.06 166.26 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.66 2.24 . . . . 0.0 113.36 -178.727 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.38 -3.66 57.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.194 179.444 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -78.32 -32.36 49.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.921 0.391 . . . . 0.0 110.902 -179.345 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.706 HD21 HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -101.42 10.95 39.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.134 179.831 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.576 ' HE3' HD21 ' A' ' 14' ' ' LEU . 46.2 t-105 -52.75 100.98 0.03 OUTLIER 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.288 179.599 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.92 -31.46 0.61 Allowed Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.663 179.833 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.478 ' HB3' ' HB2' ' A' ' 29' ' ' ARG . 19.1 t0 -73.96 93.75 2.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.718 0.294 . . . . 0.0 111.17 -179.906 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.855 ' CE1' HG11 ' A' ' 66' ' ' VAL . 20.4 t80 -49.37 -36.65 22.32 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.553 -179.676 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.67 -31.62 73.56 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.848 -0.691 . . . . 0.0 113.0 -179.448 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.552 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -82.85 -35.44 26.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.85 0.357 . . . . 0.0 111.238 -179.645 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.827 ' HA ' HD13 ' A' ' 19' ' ' LEU . 13.5 ptp -74.35 -42.89 58.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.024 -179.902 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -64.35 -47.73 78.21 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.107 -179.994 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' A' ' 29' ' ' ARG . 1.3 pt20 -57.29 -33.11 67.31 Favored 'General case' 0 C--O 1.231 0.107 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.692 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.524 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -77.4 -44.62 28.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.1 178.995 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.563 ' HB2' HD11 ' A' ' 17' ' ' LEU . 12.2 t80 -54.17 -37.27 64.27 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.26 179.199 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.14 -44.5 38.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.47 179.567 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -61.6 -30.0 70.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.499 179.581 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.506 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 91.9 mm-40 -87.48 -18.33 30.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.07 179.798 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.1 m -77.19 -35.04 56.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.922 0.392 . . . . 0.0 110.611 179.678 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.1 mt -62.29 -32.35 73.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.0 pp -89.18 -15.81 32.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.789 179.719 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.626 HD22 ' HB3' ' A' ' 51' ' ' LEU . 17.1 mt -94.81 -5.83 44.25 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.02 179.535 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.567 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 4.1 t-80 -68.9 138.45 90.29 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.163 179.413 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.567 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 26.1 Cg_endo -62.78 -12.69 30.14 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.531 2.154 . . . . 0.0 112.823 -179.749 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.54 -21.94 25.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.733 0.301 . . . . 0.0 110.903 179.71 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.531 ' HD3' ' HB3' ' A' ' 42' ' ' HIS . 0.9 OUTLIER -99.92 31.01 3.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.016 -179.955 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.54 45.71 75.32 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.682 179.737 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -125.52 171.59 17.44 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.491 179.835 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.605 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -89.99 150.56 22.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.889 0.376 . . . . 0.0 110.854 -179.975 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 -79.01 -41.94 27.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.48 -36.75 76.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.61 -179.732 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.626 ' HB3' HD22 ' A' ' 41' ' ' LEU . 3.7 mp -62.28 -55.77 25.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.224 -179.62 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 7.6 tpt -56.99 -30.42 64.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.205 -179.747 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -69.83 -27.55 64.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.8 179.837 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.97 -49.24 38.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.863 179.919 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.608 HD11 ' CD2' ' A' ' 17' ' ' LEU . 7.9 tp -55.53 -46.38 77.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -59.17 -42.75 91.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.01 0.433 . . . . 0.0 110.705 179.78 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 t -66.08 -30.64 71.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.6 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 9.1 mt -86.28 -24.99 25.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.444 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.57 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 63.8 t-105 -89.47 -26.25 21.04 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.108 -0.331 . . . . 0.0 110.108 179.883 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.427 ' HA2' ' NZ ' ' A' ' 63' ' ' LYS . . . -68.29 -63.65 3.49 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.825 -0.702 . . . . 0.0 111.957 179.109 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.603 ' CG2' HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -52.83 -50.19 64.18 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 178.905 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.529 ' HB2' ' O ' ' A' ' 58' ' ' LEU . 5.7 t80 -45.9 -49.37 15.68 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 113.436 -1.711 . . . . 0.0 109.491 177.931 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.585 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 0.2 OUTLIER -56.93 -33.46 67.01 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 114.136 -1.393 . . . . 0.0 111.145 179.724 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.416 ' HB ' ' O ' ' A' ' 61' ' ' THR . 58.1 m -50.88 -37.9 46.39 Favored 'General case' 0 CA--C 1.521 -0.152 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.887 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -85.33 -30.89 23.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.55 178.36 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.924 ' HA ' HD23 ' A' ' 69' ' ' LEU . 76.7 t -56.87 -34.84 44.88 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.058 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.699 179.796 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -68.49 -31.54 70.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.539 179.604 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -90.79 -23.28 20.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.5 -179.855 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.924 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.8 OUTLIER -53.92 -33.64 57.28 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.776 0.322 . . . . 0.0 111.279 -179.548 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -78.58 1.09 23.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.931 0.396 . . . . 0.0 111.972 -179.654 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.2 mmm -104.66 -24.01 13.01 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.297 -179.886 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -102.82 -16.97 15.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.568 -179.674 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.417 HD12 HD13 ' A' ' 69' ' ' LEU . 3.4 mt -77.92 87.65 4.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.151 0.501 . . . . 0.0 110.77 -179.937 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 155.85 162.61 11.49 Favored Glycine 0 N--CA 1.45 -0.418 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.532 179.982 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 130.61 -54.72 0.78 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 -179.939 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.3 p -82.7 106.67 14.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.792 0.33 . . . . 0.0 110.849 -179.993 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 163.07 -32.32 0.29 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.555 -179.812 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -64.48 142.74 58.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.795 0.331 . . . . 0.0 110.807 179.963 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.606 179.771 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.925 0.393 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -156.29 -36.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.993 179.895 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.3 mtt180 -91.06 69.03 6.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.174 -179.677 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.8 m -128.1 126.99 67.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.079 0.466 . . . . 0.0 111.026 179.41 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.812 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.0 pt? -90.28 142.24 27.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.111 -179.698 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.7 p -84.14 -176.15 6.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.97 -179.369 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.485 ' HG3' ' N ' ' A' ' 8' ' ' ALA . 8.2 ptt180 -57.78 -36.6 72.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.015 -179.94 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.485 ' N ' ' HG3' ' A' ' 7' ' ' ARG . . . -64.76 -41.87 95.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.812 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 1.4 m-20 -59.37 -59.66 5.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 179.75 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.508 ' N ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -60.59 -44.2 96.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.685 -179.975 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -63.93 -28.29 69.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.229 179.414 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -85.11 -27.85 25.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.229 179.284 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.687 ' O ' HD13 ' A' ' 17' ' ' LEU . 1.1 tp -68.13 -30.22 69.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.048 179.39 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.791 HD22 HD23 ' A' ' 19' ' ' LEU . 89.2 mt -77.72 -37.4 49.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.008 -179.889 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -59.67 -36.69 76.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.861 179.797 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.44 HD21 HD23 ' A' ' 51' ' ' LEU . 5.6 mp -84.56 -19.88 32.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.23 179.947 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.687 HD13 ' O ' ' A' ' 13' ' ' LEU . 7.2 mp -90.23 -0.58 57.69 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.87 20.39 1.61 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.294 0.569 . . . . 0.0 110.026 -178.902 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.917 HD13 ' HA ' ' A' ' 30' ' ' MET . 4.2 tt -110.65 111.56 56.92 Favored Pre-proline 0 N--CA 1.449 -0.485 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.179 -178.891 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.411 ' O ' HD13 ' A' ' 23' ' ' LEU . 77.0 Cg_exo -47.53 168.17 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 123.156 2.57 . . . . 0.0 113.975 -178.591 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.401 ' HA ' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -90.59 -7.48 52.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.737 179.649 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -76.37 -33.86 58.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.0 0.428 . . . . 0.0 111.252 -178.76 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.682 HD21 HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -97.21 12.64 32.14 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.53 -179.652 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.767 ' CE3' HD11 ' A' ' 14' ' ' LEU . 73.4 t-105 -51.88 97.19 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.234 179.492 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.23 -25.68 0.61 Allowed Glycine 0 C--N 1.332 0.358 0 C-N-CA 120.507 -0.854 . . . . 0.0 113.049 179.883 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.409 ' O ' ' HG2' ' A' ' 30' ' ' MET . 42.5 t0 -80.53 89.71 5.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.591 0.234 . . . . 0.0 111.147 -179.678 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.807 ' CD1' HG11 ' A' ' 66' ' ' VAL . 30.2 t80 -48.2 -35.81 12.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.743 0.306 . . . . 0.0 111.521 -179.788 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.435 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -64.0 -41.08 98.73 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 0.0 113.296 -179.388 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -76.21 -37.8 57.3 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -178.985 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.917 ' HA ' HD13 ' A' ' 19' ' ' LEU . 18.2 ptp -73.26 -40.34 64.69 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.171 -0.212 . . . . 0.0 111.025 -179.879 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -66.36 -36.98 84.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.898 0.38 . . . . 0.0 110.084 179.266 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.435 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -66.28 -36.33 82.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.932 179.13 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.515 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -76.63 -31.65 57.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.37 179.355 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.483 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 13.4 t80 -61.72 -45.14 95.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.513 179.644 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -41.94 78.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.016 0.436 . . . . 0.0 110.443 179.729 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -63.8 -32.2 73.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.611 179.776 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.513 ' OE1' HD21 ' A' ' 40' ' ' LEU . 98.1 mm-40 -90.0 -21.12 22.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.811 179.914 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.2 m -69.81 -37.17 76.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.029 0.442 . . . . 0.0 110.27 179.223 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.8 mt -61.38 -50.35 73.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.841 179.911 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.707 HD12 ' HG ' ' A' ' 41' ' ' LEU . 2.6 pp -64.42 -20.69 66.31 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.707 ' HG ' HD12 ' A' ' 40' ' ' LEU . 34.0 mt -95.72 9.08 41.59 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.796 179.249 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 -85.27 131.63 47.67 Favored Pre-proline 0 CA--C 1.53 0.186 0 CA-C-O 120.613 0.244 . . . . 0.0 110.713 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -45.61 -16.3 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.852 2.368 . . . . 0.0 113.614 -179.982 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -92.4 -28.75 16.68 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.785 0.326 . . . . 0.0 111.067 -179.818 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp -98.41 29.02 3.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.058 -179.807 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 59.66 89.38 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.428 -179.909 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -154.07 164.93 31.56 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.581 -179.887 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.516 ' HB2' HD13 ' A' ' 51' ' ' LEU . 2.7 m -87.96 151.61 22.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.851 0.358 . . . . 0.0 110.965 -179.875 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -80.07 -35.99 36.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.777 179.955 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.79 -21.84 66.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.382 -179.886 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.521 ' HB3' HD22 ' A' ' 41' ' ' LEU . 0.5 OUTLIER -86.05 -49.34 7.87 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.976 0.417 . . . . 0.0 110.447 179.735 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -31.05 65.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.278 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -83.07 -38.06 23.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -36.14 83.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.988 0.423 . . . . 0.0 110.225 179.509 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.633 HD11 HD11 ' A' ' 17' ' ' LEU . 9.0 tp -67.82 -46.56 71.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.633 179.732 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -61.85 -39.37 91.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.954 179.921 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.63 -32.42 60.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.742 179.752 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.597 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 13.1 mt -78.94 -29.12 43.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.21 -179.698 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.604 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 63.2 t-105 -88.87 -25.73 21.99 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 179.77 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.2 -63.73 3.16 Favored Glycine 0 C--N 1.335 0.504 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.99 179.031 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.711 HG23 HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -51.1 -49.37 60.84 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 178.779 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.542 ' HB2' ' O ' ' A' ' 58' ' ' LEU . 7.2 t80 -46.48 -56.38 6.04 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 113.221 -1.809 . . . . 0.0 109.289 177.556 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.604 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -53.52 -38.31 63.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.53 -1.214 . . . . 0.0 111.237 179.378 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' A' ' 61' ' ' THR . 28.5 m -47.95 -41.14 24.22 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 121.268 0.556 . . . . 0.0 109.519 179.098 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -83.57 -28.33 28.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.833 178.62 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.807 HG11 ' CD1' ' A' ' 27' ' ' PHE . 71.9 t -57.44 -39.87 71.19 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.068 -179.879 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.33 -30.82 71.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.984 0.421 . . . . 0.0 110.142 179.297 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -90.8 -16.83 27.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.522 179.839 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.743 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -59.54 -40.42 87.14 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.744 0.307 . . . . 0.0 111.061 -179.436 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.4 mtm105 -80.53 1.1 30.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.024 0.44 . . . . 0.0 112.094 -179.468 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 9.0 mtt -96.95 -17.17 20.26 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.625 179.369 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -97.62 -8.35 29.1 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.365 179.865 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.1 mt -81.91 17.55 1.52 Allowed 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 111.593 0.219 . . . . 0.0 111.593 -179.842 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -110.48 -72.09 0.68 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.32 179.899 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 122.1 -44.61 1.31 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.767 179.864 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.1 p -81.01 124.76 29.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 0.0 110.985 179.97 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 173.47 53.65 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.733 179.945 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -86.7 130.83 34.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.809 0.338 . . . . 0.0 110.708 179.711 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.077 -179.607 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.9 mmm . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 120.71 0.29 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -81.67 125.42 30.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.133 -179.887 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.55 93.52 6.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.422 179.652 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.7 m -88.23 125.01 41.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.415 0.626 . . . . 0.0 111.227 -179.633 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.72 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.8 OUTLIER -90.41 140.42 29.74 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.732 179.905 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.6 p -85.92 -169.15 2.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.807 -179.976 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.8 tpp85 -63.19 -37.06 85.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.958 179.882 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.412 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . . . -72.6 -25.1 61.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.745 -179.594 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.72 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 7.3 m-20 -86.27 -49.2 7.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.582 0.23 . . . . 0.0 110.822 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.511 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -56.77 -44.01 81.39 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.953 0.406 . . . . 0.0 110.054 179.442 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.412 ' HG2' ' HA ' ' A' ' 8' ' ' ALA . 0.5 OUTLIER -62.21 -30.77 71.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.992 179.008 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -68.38 -40.7 81.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.767 179.021 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.528 ' O ' HD13 ' A' ' 17' ' ' LEU . 1.4 tp -56.37 -31.44 63.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.086 179.103 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.745 HD12 ' HG2' ' A' ' 21' ' ' ARG . 12.7 mt -70.31 -48.53 56.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.889 179.712 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -49.57 -29.16 6.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.98 0.419 . . . . 0.0 110.666 179.788 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.1 mp -87.65 -22.9 24.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.265 179.798 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.699 HD11 HD11 ' A' ' 55' ' ' LEU . 6.6 mp -88.28 0.34 56.25 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 179.572 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 54.4 19.05 2.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.379 0.609 . . . . 0.0 110.042 -178.893 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.799 HD21 HD21 ' A' ' 23' ' ' LEU . 1.9 tt -109.78 110.27 59.31 Favored Pre-proline 0 N--CA 1.448 -0.533 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.835 -179.244 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -46.19 168.24 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.88 2.386 . . . . 0.0 113.699 -178.604 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.745 ' HG2' HD12 ' A' ' 14' ' ' LEU . 26.1 mtm105 -90.32 -3.3 57.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.041 179.291 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -80.85 -29.44 35.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.874 0.369 . . . . 0.0 111.482 -178.776 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.799 HD21 HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -105.1 11.65 32.99 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.275 179.992 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.6 ' HE3' HD11 ' A' ' 14' ' ' LEU . 27.9 t-105 -54.91 114.68 1.83 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.019 179.424 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 139.87 -26.78 2.6 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.493 -179.925 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.4 ' O ' ' HG2' ' A' ' 30' ' ' MET . 9.8 t70 -79.09 88.49 4.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.674 0.273 . . . . 0.0 111.066 -179.86 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.814 ' CE1' HG11 ' A' ' 66' ' ' VAL . 5.4 t80 -45.7 -32.5 2.47 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.803 -179.695 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.67 -33.23 71.29 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.896 -179.569 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.459 ' HB3' HD11 ' A' ' 19' ' ' LEU . 10.1 mtp180 -84.41 -36.09 22.64 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.565 0.209 . . . . 0.0 111.565 -179.341 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.623 ' HA ' HD13 ' A' ' 19' ' ' LEU . 15.4 ptp -74.24 -44.85 51.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.751 -0.204 . . . . 0.0 111.233 -179.729 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -64.89 -44.29 90.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.908 0.385 . . . . 0.0 110.498 179.669 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -34.16 72.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.147 179.384 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.05 -30.58 39.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.442 179.497 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.433 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 12.8 t80 -61.36 -48.14 82.65 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.343 179.614 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.6 -45.23 91.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.569 179.729 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.56 -30.86 68.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.888 179.864 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.555 ' HA ' HD23 ' A' ' 40' ' ' LEU . 22.0 mm100 -90.19 -24.67 20.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.084 179.872 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.7 m -79.71 -35.14 39.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.849 0.357 . . . . 0.0 110.794 179.948 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.477 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 2.7 mt -64.89 -24.68 67.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.168 -179.804 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.555 HD23 ' HA ' ' A' ' 37' ' ' GLN . 1.6 pp -90.16 -28.7 18.74 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.233 -179.885 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.583 HD21 HD22 ' A' ' 51' ' ' LEU . 15.4 mt -93.4 23.02 4.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.947 0.403 . . . . 0.0 110.59 179.21 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.472 ' ND1' ' HD2' ' A' ' 43' ' ' PRO . 86.3 t60 -90.18 137.62 27.75 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.669 179.855 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.472 ' HD2' ' ND1' ' A' ' 42' ' ' HIS . 91.1 Cg_exo -41.87 -53.37 3.45 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.863 2.375 . . . . 0.0 113.225 -179.799 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.415 ' HB2' ' CD2' ' A' ' 42' ' ' HIS . 6.6 m-20 -67.57 -11.6 58.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.687 -179.626 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' A' ' 39' ' ' LEU . 10.1 mmtm -113.9 31.02 6.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.783 0.325 . . . . 0.0 110.779 179.927 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 57.45 63.68 5.07 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 179.964 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -128.56 163.0 22.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 -179.924 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.565 ' HB2' HD13 ' A' ' 51' ' ' LEU . 1.6 m -90.13 152.84 20.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 111.138 -179.878 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.56 -44.86 18.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.739 179.803 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.429 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -60.41 -27.01 67.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.183 -179.949 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.583 HD22 HD21 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -78.73 -48.98 13.86 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.101 -179.916 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -45.38 87.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.208 -179.628 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -69.47 -35.87 76.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.24 -179.6 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.532 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -63.65 -46.74 84.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.097 0.475 . . . . 0.0 110.351 179.707 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.699 HD11 HD11 ' A' ' 17' ' ' LEU . 12.6 tp -68.13 -43.29 78.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.948 -179.919 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.09 -33.04 72.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.904 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.4 -36.89 45.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.737 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.536 ' HA ' HD23 ' A' ' 5' ' ' LEU . 0.5 OUTLIER -77.52 -25.45 50.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 179.804 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.528 ' HB2' HD11 ' A' ' 13' ' ' LEU . 61.2 t-105 -90.87 -25.57 19.78 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.434 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.425 ' HA2' ' NZ ' ' A' ' 63' ' ' LYS . . . -67.71 -68.6 1.6 Allowed Glycine 0 C--N 1.336 0.566 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.824 179.857 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.563 ' CG2' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -50.47 -48.86 56.45 Favored 'General case' 0 CA--C 1.51 -0.562 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 179.276 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.516 ' N ' ' CG2' ' A' ' 61' ' ' THR . 5.6 t80 -44.45 -52.48 7.81 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 113.395 -1.729 . . . . 0.0 109.347 177.597 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.617 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 0.1 OUTLIER -55.73 -41.74 74.33 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 114.08 -1.418 . . . . 0.0 111.011 179.382 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.43 ' HB ' ' O ' ' A' ' 61' ' ' THR . 94.8 m -51.3 -35.59 38.52 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 178.891 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.32 -31.99 22.72 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.589 178.318 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.967 ' HA ' HD23 ' A' ' 69' ' ' LEU . 50.1 t -49.02 -40.6 12.99 Favored 'Isoleucine or valine' 0 C--O 1.231 0.088 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.822 -179.952 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.26 -31.32 72.48 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.611 179.773 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -90.73 -22.15 21.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.435 -179.741 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.967 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -59.42 -38.52 80.84 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.794 0.331 . . . . 0.0 111.048 -179.543 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -77.97 1.18 21.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.051 0.453 . . . . 0.0 111.864 -179.645 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.7 mtt -113.95 -6.07 13.17 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.397 179.892 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.64 154.88 40.48 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 121.104 0.478 . . . . 0.0 111.332 -179.743 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 1.0 OUTLIER -142.97 91.8 2.33 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.261 177.67 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -139.97 144.16 14.66 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.713 -179.915 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 116.57 -44.78 1.39 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.659 179.917 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 36.7 p -66.22 150.25 49.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.849 0.356 . . . . 0.0 111.106 -179.827 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 147.78 27.07 0.07 OUTLIER Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.724 -0.75 . . . . 0.0 113.116 179.838 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.8 160.24 32.5 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.784 0.292 . . . . 0.0 110.608 179.708 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.91 179.871 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 ttp . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 120.855 0.36 . . . . 0.0 111.323 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -94.2 -12.62 27.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.148 179.767 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -88.84 89.76 8.12 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-O 120.845 0.355 . . . . 0.0 110.328 179.598 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.3 m -139.44 123.88 20.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.434 -179.975 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.818 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.3 OUTLIER -71.46 149.09 46.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.582 179.282 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.2 p -88.87 177.51 6.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.295 -178.813 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.453 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 36.3 ttm180 -50.84 -35.19 31.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.049 -179.93 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.92 -44.24 70.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.635 -179.692 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.818 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 42.9 m-20 -73.91 -43.38 58.58 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 121.097 -0.241 . . . . 0.0 111.258 -179.541 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.798 ' HB3' HD13 ' A' ' 5' ' ' LEU . 4.3 pttp -67.77 -33.93 75.8 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.877 0.37 . . . . 0.0 110.3 179.501 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.453 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 23.5 tp10 -65.62 -34.83 79.15 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.112 0.482 . . . . 0.0 109.716 178.908 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -66.46 -34.43 77.92 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.662 179.014 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.779 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.9 tp -62.46 -31.74 72.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.124 179.291 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.852 HD22 ' O ' ' A' ' 19' ' ' LEU . 13.2 mt -75.04 -39.31 61.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.89 179.624 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.1 -41.13 67.94 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.021 -179.75 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.475 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 8.4 mp -79.15 -16.26 56.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.632 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.779 HD23 ' O ' ' A' ' 13' ' ' LEU . 3.2 mm? -90.2 -9.37 48.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.972 -179.77 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.22 20.84 1.99 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 121.351 0.596 . . . . 0.0 109.931 -178.637 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.944 HD21 HD21 ' A' ' 23' ' ' LEU . 3.1 tt -111.01 111.09 56.44 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.082 -179.016 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.441 ' O ' HD13 ' A' ' 23' ' ' LEU . 87.9 Cg_exo -43.98 166.92 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.919 2.413 . . . . 0.0 113.575 -178.828 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.2 -9.21 48.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.425 179.607 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -71.95 -35.27 69.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.151 0.501 . . . . 0.0 110.911 -179.215 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.944 HD21 HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -98.5 8.67 44.59 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.26 179.81 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.485 ' CE3' HD11 ' A' ' 14' ' ' LEU . 37.4 t-105 -52.6 100.46 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.019 179.417 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 158.66 -25.02 0.36 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.603 -179.938 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -79.66 89.03 5.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.754 0.312 . . . . 0.0 111.078 -179.817 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.474 ' CE1' HG11 ' A' ' 66' ' ' VAL . 35.7 t80 -47.75 -49.14 29.29 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.091 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.496 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -57.41 -33.63 66.55 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.598 -179.876 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.16 -46.72 14.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.643 0.258 . . . . 0.0 111.634 -179.624 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.626 ' HA ' HD13 ' A' ' 19' ' ' LEU . 1.5 ptm -69.36 -44.57 71.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.45 -179.456 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -61.47 -42.72 99.22 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.529 179.701 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.512 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -54.92 -43.88 73.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.83 0.348 . . . . 0.0 110.371 179.647 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.742 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -67.91 -34.03 75.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.748 179.524 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.496 ' CE2' ' CG ' ' A' ' 59' ' ' TRP . 8.9 t80 -54.55 -38.64 66.86 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.681 179.573 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.82 -37.05 41.63 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.288 -179.828 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.512 ' HG2' ' O ' ' A' ' 32' ' ' GLN . 47.0 mm-40 -61.6 -45.7 92.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.857 0.36 . . . . 0.0 110.87 -179.847 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.543 ' HA ' HD21 ' A' ' 40' ' ' LEU . 23.4 mm100 -80.73 -19.21 45.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.048 179.936 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.1 m -71.99 -34.77 69.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.998 0.428 . . . . 0.0 110.161 179.269 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 60.2 mt -66.02 -38.31 88.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.872 179.891 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.543 HD21 ' HA ' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -81.11 -14.92 57.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.034 179.666 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.437 HD22 ' HB3' ' A' ' 51' ' ' LEU . 14.5 mt -95.46 6.08 49.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.463 179.532 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.478 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 19.9 t-80 -87.9 136.15 32.79 Favored Pre-proline 0 C--N 1.332 -0.181 0 CA-C-O 120.719 0.295 . . . . 0.0 110.503 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.478 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 87.9 Cg_exo -45.76 -33.68 10.71 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.988 2.459 . . . . 0.0 113.25 -179.582 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.01 -12.92 60.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.602 -179.305 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -120.89 30.99 6.6 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.765 0.317 . . . . 0.0 111.079 -179.933 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 60.74 54.62 35.46 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.579 179.86 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -116.83 169.57 13.1 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.41 179.896 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.476 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.7 OUTLIER -90.06 149.21 22.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.9 0.381 . . . . 0.0 110.942 -179.917 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -83.3 -37.75 23.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.861 179.908 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.509 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -72.39 -28.82 63.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.492 -179.761 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.476 HD13 ' HB2' ' A' ' 48' ' ' SER . 0.2 OUTLIER -73.99 -49.79 22.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.854 0.359 . . . . 0.0 111.038 -179.784 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.471 ' HE2' ' O ' ' A' ' 52' ' ' MET . 0.0 OUTLIER -57.57 -38.4 74.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.378 -179.705 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -78.32 -32.19 49.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.984 -179.857 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.509 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 1.1 tp10 -64.77 -49.02 72.37 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.091 0.472 . . . . 0.0 110.09 179.224 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.507 HD12 HD12 ' A' ' 13' ' ' LEU . 10.1 tp -61.6 -39.24 90.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.817 179.853 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -60.64 -33.01 72.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.804 179.99 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.77 -36.59 62.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -179.902 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.529 ' HA ' HD23 ' A' ' 5' ' ' LEU . 17.5 mt -79.62 -28.67 40.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.833 179.933 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.672 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 71.5 t-105 -89.81 -18.61 25.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.025 179.53 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.415 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -75.21 -60.88 3.16 Favored Glycine 0 C--N 1.334 0.45 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.082 179.382 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.569 ' CG2' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -56.93 -50.18 73.35 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 179.434 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.766 ' O ' ' HG3' ' A' ' 65' ' ' GLU . 4.7 t80 -45.18 -49.66 11.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 113.442 -1.708 . . . . 0.0 109.679 178.038 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.672 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 1.7 ttmt -57.58 -40.26 78.61 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.729 179.54 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' ' 61' ' ' THR . 86.9 m -53.12 -44.4 67.64 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 178.871 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.766 ' HG3' ' O ' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -82.91 -19.25 37.67 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.246 178.645 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.681 ' HA ' HD23 ' A' ' 69' ' ' LEU . 6.4 t -56.82 -48.16 81.64 Favored 'Isoleucine or valine' 0 C--N 1.339 0.127 0 CA-C-O 120.784 0.326 . . . . 0.0 110.449 179.605 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.41 -26.76 66.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.934 0.397 . . . . 0.0 110.432 179.602 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -90.62 -20.93 22.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.26 179.84 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.681 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -62.09 -37.93 86.94 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.817 0.341 . . . . 0.0 110.672 -179.554 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.2 mtm180 -74.22 1.09 12.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.077 -179.343 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -112.35 -39.33 4.44 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.413 179.548 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -66.17 140.98 58.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.917 179.971 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.47 87.29 7.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.586 179.661 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -151.76 51.74 0.5 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.668 -179.878 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 164.71 32.45 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.825 179.793 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.4 m -86.13 152.21 23.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.694 0.283 . . . . 0.0 110.66 179.829 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -87.47 41.63 3.1 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.458 179.727 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -93.57 25.83 3.31 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.721 0.296 . . . . 0.0 111.055 179.968 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.097 179.978 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 ttp . . . . . 0 N--CA 1.488 1.446 0 CA-C-O 120.822 0.344 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.3 p-10 -99.12 -10.52 22.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.938 179.601 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.04 88.36 6.96 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.988 -179.779 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 25.3 m -138.72 123.21 21.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.195 0.522 . . . . 0.0 111.036 179.473 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.734 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 1.9 pt? -87.77 134.8 33.61 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.578 -179.937 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.9 p -76.64 173.18 11.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.419 -178.85 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -50.27 -33.67 20.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.736 179.834 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.468 ' O ' ' HB2' ' A' ' 12' ' ' ARG . . . -69.86 -26.16 64.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.193 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.734 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 2.0 m-20 -82.7 -55.41 4.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.05 -179.855 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -40.33 87.81 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.908 0.385 . . . . 0.0 110.24 179.844 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -68.98 -31.19 69.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.065 179.13 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.468 ' HB2' ' O ' ' A' ' 8' ' ' ALA . 13.3 ttm-85 -73.97 -36.81 64.59 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.071 179.184 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 tp -63.22 -38.02 89.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.919 178.977 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.837 HD21 ' HE3' ' A' ' 24' ' ' TRP . 14.6 mt -63.72 -47.81 79.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.831 179.827 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -58.84 -23.62 60.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.981 179.855 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.0 mt -89.91 -30.47 17.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.965 -179.862 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.751 HD11 HD11 ' A' ' 55' ' ' LEU . 8.8 mp -85.65 -0.23 54.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.297 -0.411 . . . . 0.0 112.053 179.963 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.44 18.89 1.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.219 0.533 . . . . 0.0 110.435 -179.062 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.738 ' O ' HD22 ' A' ' 14' ' ' LEU . 3.5 tt -104.56 110.79 64.83 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.876 -179.178 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.514 ' HB2' HD21 ' A' ' 23' ' ' LEU . 53.0 Cg_exo -52.67 176.61 0.07 OUTLIER 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.902 2.401 . . . . 0.0 112.775 -179.582 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 46.5 mtp85 -80.76 -26.65 37.15 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.061 -179.475 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.26 -11.71 10.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.934 -179.687 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.778 HD23 ' N ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -128.67 20.92 6.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.097 0.475 . . . . 0.0 110.538 179.969 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.837 ' HE3' HD21 ' A' ' 14' ' ' LEU . 36.9 t-105 -53.25 -17.86 2.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.268 179.791 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -101.16 -19.72 15.89 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.294 179.363 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -63.93 89.96 0.06 Allowed 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.945 0.403 . . . . 0.0 110.8 179.945 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.502 ' CE1' HG11 ' A' ' 66' ' ' VAL . 19.0 t80 -59.3 -42.1 90.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.372 -179.596 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.11 -32.0 82.7 Favored Glycine 0 CA--C 1.518 0.261 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.919 -179.563 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.23 -45.68 25.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.784 0.326 . . . . 0.0 111.232 -179.589 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.498 ' HA ' HD13 ' A' ' 19' ' ' LEU . 11.4 ptp -63.67 -43.37 96.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.131 -179.685 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -61.82 -37.79 85.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 0.0 110.342 179.69 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -66.7 -36.04 81.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.176 179.451 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.557 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -81.14 -32.31 33.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.57 179.559 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.467 ' CE2' ' CG ' ' A' ' 59' ' ' TRP . 7.8 t80 -61.44 -46.36 90.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.295 179.587 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.0 tttp -68.58 -40.04 80.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.504 179.704 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -67.13 -33.25 75.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.614 179.62 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.432 ' HG3' ' HA ' ' A' ' 17' ' ' LEU . 27.4 mm100 -86.35 -22.95 26.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.145 -179.882 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.64 -28.49 66.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.572 179.525 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.414 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 1.3 mt -77.21 -45.94 24.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.218 -179.703 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.47 ' HA ' ' HB3' ' A' ' 45' ' ' LYS . 3.4 pp -75.29 -8.86 57.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.671 0.272 . . . . 0.0 111.443 -179.796 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.499 HD22 ' HB3' ' A' ' 51' ' ' LEU . 19.7 mt -95.28 3.41 54.54 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.15 179.38 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.447 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 29.8 t-80 -90.1 140.18 27.37 Favored Pre-proline 0 CA--C 1.531 0.23 0 CA-C-O 120.735 0.302 . . . . 0.0 110.587 179.766 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.447 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 82.0 Cg_exo -45.45 -25.82 2.39 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 123.143 2.562 . . . . 0.0 113.975 -179.411 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.31 -22.86 32.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.588 0.232 . . . . 0.0 111.512 -179.257 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.47 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -108.71 30.43 6.51 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.845 0.355 . . . . 0.0 110.79 -179.752 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.11 52.23 28.94 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.5 179.852 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -127.42 161.31 21.54 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.574 179.913 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.15 151.36 21.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.759 0.314 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -70.69 -47.02 61.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.662 179.68 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.521 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -65.41 -35.23 80.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.18 179.961 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.499 ' HB3' HD22 ' A' ' 41' ' ' LEU . 9.9 mt -66.26 -52.95 42.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.374 -179.628 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -45.69 64.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 0.0 111.127 -179.867 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -73.44 -30.52 63.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.769 179.801 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.521 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 9.8 tt0 -63.07 -33.56 75.71 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.971 0.415 . . . . 0.0 110.154 179.403 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.751 HD11 HD11 ' A' ' 17' ' ' LEU . 10.8 tp -69.46 -46.39 66.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.657 179.791 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -62.97 -34.1 76.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.679 179.82 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 73.2 m -74.95 -33.3 61.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.547 179.722 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.612 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 22.5 mt -83.28 -29.58 28.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.516 179.716 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.589 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 70.6 t-105 -83.11 -13.39 55.74 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.912 179.502 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -80.73 -63.92 1.86 Allowed Glycine 0 C--N 1.338 0.646 0 C-N-CA 121.02 -0.61 . . . . 0.0 111.78 179.069 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.602 ' CG2' HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -53.46 -50.31 65.58 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 107.459 -1.312 . . . . 0.0 107.459 178.877 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.558 ' N ' ' CG2' ' A' ' 61' ' ' THR . 2.7 t80 -44.85 -50.27 10.4 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 113.464 -1.698 . . . . 0.0 109.517 178.013 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.589 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 2.2 ttmt -58.84 -38.83 79.58 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.288 -1.324 . . . . 0.0 111.163 179.543 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 44.0 m -46.9 -37.72 9.34 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.155 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -85.58 -32.23 22.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.668 178.416 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.778 ' HA ' HD23 ' A' ' 69' ' ' LEU . 72.5 t -55.97 -48.82 78.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.3 -179.785 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -55.11 -31.01 60.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.962 0.41 . . . . 0.0 110.371 179.372 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -91.16 -23.6 20.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.743 -179.882 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.778 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.4 OUTLIER -65.22 -17.3 64.38 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.727 -179.098 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.03 0.9 19.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.993 0.425 . . . . 0.0 111.666 179.872 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.2 mtp -107.82 -31.31 8.08 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.689 179.837 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -76.32 110.42 10.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.807 179.886 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.2 tp -120.0 78.41 1.34 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -97.97 107.85 3.53 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.541 -179.962 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -73.51 -146.39 0.89 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.469 -179.929 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.3 t -62.65 152.36 35.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.946 0.403 . . . . 0.0 110.95 -179.917 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -122.96 -61.57 0.2 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.441 179.965 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -88.62 116.62 27.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.842 0.353 . . . . 0.0 110.772 179.956 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.889 -179.97 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 120.892 0.377 . . . . 0.0 111.288 . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -76.54 123.0 25.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.745 179.883 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -136.44 68.77 1.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.316 -179.837 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 30.5 m -138.18 125.28 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.092 0.472 . . . . 0.0 111.274 179.631 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.795 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER -86.69 146.27 26.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.738 179.719 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.3 p -89.43 -169.02 2.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.016 -179.372 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.5 mtt-85 -64.44 -34.28 77.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.591 179.83 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.66 -37.56 76.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.355 -179.78 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.795 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -79.33 -51.5 9.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.618 -0.264 . . . . 0.0 110.984 -179.8 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.581 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -57.33 -33.12 67.4 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.032 0.444 . . . . 0.0 109.897 179.374 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.7 tp10 -70.76 -31.29 68.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.464 178.439 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 ttt85 -63.7 -35.88 82.02 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.733 178.908 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.582 ' O ' HD23 ' A' ' 17' ' ' LEU . 3.1 tp -64.53 -37.22 86.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.741 179.108 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.662 HD22 ' O ' ' A' ' 19' ' ' LEU . 15.7 mt -66.75 -41.28 88.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.142 179.999 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -54.22 -44.99 72.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.735 -179.995 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.432 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 0.9 OUTLIER -81.81 -15.9 52.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.996 179.834 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.625 HD21 HD11 ' A' ' 55' ' ' LEU . 0.7 OUTLIER -89.58 -4.39 57.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.641 -179.573 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 52.93 19.07 1.21 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.282 0.563 . . . . 0.0 110.598 -179.061 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.873 HD13 ' HA ' ' A' ' 30' ' ' MET . 5.4 tt -113.31 110.32 50.78 Favored Pre-proline 0 N--CA 1.449 -0.512 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.813 -179.626 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -52.25 170.81 0.22 Allowed 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.673 2.249 . . . . 0.0 113.448 -178.7 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.34 -9.0 54.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.768 179.1 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.16 -34.07 74.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.067 -179.271 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.838 ' CD2' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -105.7 11.42 32.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.088 179.879 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.611 ' HE3' HD21 ' A' ' 14' ' ' LEU . 63.4 t-105 -49.37 100.85 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.29 179.441 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.19 -22.97 0.87 Allowed Glycine 0 CA--C 1.521 0.419 0 C-N-CA 120.768 -0.73 . . . . 0.0 113.017 179.953 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.405 ' O ' ' HG2' ' A' ' 30' ' ' MET . 12.9 t0 -78.58 88.46 4.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.624 0.249 . . . . 0.0 111.155 -179.748 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.725 ' CE1' HG11 ' A' ' 66' ' ' VAL . 14.0 t80 -49.94 -36.35 27.54 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.974 -179.62 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.22 -39.72 94.56 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.769 -0.729 . . . . 0.0 113.228 -179.283 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.49 -43.59 26.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.682 0.241 . . . . 0.0 111.615 -179.277 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.873 ' HA ' HD13 ' A' ' 19' ' ' LEU . 13.3 ptp -62.04 -44.82 95.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.673 0.273 . . . . 0.0 110.948 -179.746 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -63.14 -37.71 88.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.427 179.688 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.7 tp60 -60.51 -32.95 71.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.329 179.501 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.54 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -80.59 -42.06 22.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.505 179.453 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.513 ' CE2' ' CD1' ' A' ' 59' ' ' TRP . 8.5 t80 -51.33 -41.78 60.8 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-O 121.11 0.481 . . . . 0.0 109.821 179.066 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? -73.18 -34.24 65.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.314 179.429 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -61.77 -41.15 97.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.637 179.774 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 0.8 OUTLIER -83.93 -22.75 31.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.079 179.78 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.3 m -64.07 -28.35 69.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.028 179.81 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 39' ' ' LEU . 17.9 mt -79.64 -31.65 41.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.497 -179.6 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.427 ' HG ' ' HA ' ' A' ' 37' ' ' GLN . 1.6 pp -89.16 -15.45 33.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.367 179.893 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 23.1 mt -94.2 -5.0 47.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.782 0.325 . . . . 0.0 110.699 179.151 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.494 ' HB3' ' HG2' ' A' ' 45' ' ' LYS . 26.1 t-80 -56.6 140.74 73.97 Favored Pre-proline 0 CA--C 1.531 0.245 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.32 179.384 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.484 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 36.2 Cg_endo -65.28 -18.04 59.75 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.566 2.177 . . . . 0.0 113.357 -179.029 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -85.81 -18.35 33.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.682 0.277 . . . . 0.0 111.329 -179.973 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.494 ' HG2' ' HB3' ' A' ' 42' ' ' HIS . 6.9 mmtt -100.94 31.24 3.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.9 0.381 . . . . 0.0 110.939 -179.648 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.65 45.69 93.93 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.675 179.845 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -107.19 175.34 20.43 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.324 179.845 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.411 ' HB2' HD12 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -90.13 145.75 24.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 110.889 179.972 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -82.92 -47.32 11.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.39 -25.42 68.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.5 -179.878 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.411 HD12 ' HB2' ' A' ' 48' ' ' SER . 7.7 mt -76.97 -48.65 17.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.869 0.366 . . . . 0.0 111.092 -179.842 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.62 -40.22 38.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.351 -179.699 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -71.46 -29.83 65.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.728 179.886 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.38 -48.78 76.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.625 HD11 HD21 ' A' ' 17' ' ' LEU . 13.2 tp -63.28 -34.3 77.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.105 -179.755 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -69.94 -32.55 70.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.106 -179.914 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 54.7 p -74.87 -46.2 37.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.254 -179.726 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.487 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 5.4 mt -69.45 -29.28 66.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.01 -179.852 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.543 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 69.4 t-105 -89.37 -19.02 25.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.135 179.956 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.08 -66.5 1.96 Allowed Glycine 0 C--N 1.335 0.505 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.121 179.438 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.544 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -52.77 -49.84 64.74 Favored 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 179.277 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.544 ' N ' ' CG2' ' A' ' 61' ' ' THR . 4.5 t80 -43.78 -49.59 8.0 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 113.553 -1.658 . . . . 0.0 109.358 177.852 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.572 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 1.7 ttmt -57.26 -41.09 79.01 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.11 -1.404 . . . . 0.0 111.1 179.387 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.412 ' HB ' ' O ' ' A' ' 61' ' ' THR . 90.7 m -46.33 -37.35 7.33 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 121.282 0.563 . . . . 0.0 109.526 179.279 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -85.48 -32.83 22.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.757 178.43 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.956 ' HA ' HD23 ' A' ' 69' ' ' LEU . 69.6 t -52.22 -47.61 44.51 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.071 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.087 -179.933 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -59.44 -28.9 67.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.964 0.411 . . . . 0.0 110.446 179.792 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -90.85 -22.82 20.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.447 179.876 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.956 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -61.08 -32.38 72.03 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.733 0.302 . . . . 0.0 110.852 -179.316 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.2 mtt180 -73.9 0.98 11.73 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.009 0.433 . . . . 0.0 111.884 -179.785 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -104.6 -25.27 12.81 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.564 179.522 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -72.15 137.14 46.76 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.801 179.794 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.9 tp -123.94 -61.34 1.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.925 179.895 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 94.42 -133.19 11.49 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.431 -179.998 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 177.06 37.61 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.581 179.939 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.3 t -76.73 145.46 38.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.859 0.361 . . . . 0.0 110.805 179.931 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -66.01 -26.0 72.22 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.288 179.762 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.26 107.26 19.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.7 0.286 . . . . 0.0 110.954 179.981 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.796 179.817 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mtm . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 120.802 0.334 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -65.18 140.53 58.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.962 179.95 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.39 69.25 1.23 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.764 179.788 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.403 ' O ' HG23 ' A' ' 4' ' ' VAL . 27.2 m -133.0 124.32 49.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.176 0.512 . . . . 0.0 111.126 179.952 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.759 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.2 pt? -83.57 147.14 27.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.929 -179.929 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.6 p -89.4 -177.3 5.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.506 -178.891 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.99 -34.4 65.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.87 179.889 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.11 -42.01 94.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.742 179.721 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.759 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 1.0 OUTLIER -64.78 -56.5 13.19 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.054 179.919 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.466 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -59.6 -40.86 88.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.858 0.361 . . . . 0.0 110.653 -179.709 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.432 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 2.5 mm-40 -64.67 -32.22 73.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.177 179.161 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -79.25 -36.92 39.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.158 179.307 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.823 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.5 tp -59.85 -32.7 70.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.113 179.233 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.868 HD22 ' O ' ' A' ' 19' ' ' LEU . 26.5 mt -72.33 -42.61 65.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.175 -179.821 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -51.64 -36.59 46.72 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.067 0.46 . . . . 0.0 110.442 179.665 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.76 HD21 HD22 ' A' ' 51' ' ' LEU . 8.6 mp -86.1 -19.06 30.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.966 179.487 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.823 HD23 ' O ' ' A' ' 13' ' ' LEU . 3.5 mm? -89.89 -7.09 55.02 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.301 -0.409 . . . . 0.0 112.051 -179.859 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 mttp 55.19 19.1 2.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.268 0.556 . . . . 0.0 110.315 -178.924 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.868 ' O ' HD22 ' A' ' 14' ' ' LEU . 3.8 tt -108.18 107.41 60.18 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.017 -179.383 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -47.21 169.91 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.217 2.612 . . . . 0.0 114.105 -178.672 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.559 ' HG2' ' CD1' ' A' ' 14' ' ' LEU . 4.3 mtm105 -88.87 -3.12 58.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.118 179.388 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.97 -27.6 33.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.957 0.408 . . . . 0.0 111.232 -178.849 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.726 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -112.78 14.99 19.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.365 -179.864 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.616 ' CE3' HD11 ' A' ' 14' ' ' LEU . 55.6 t-105 -52.93 102.44 0.05 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.426 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 151.99 -20.27 0.87 Allowed Glycine 0 CA--C 1.521 0.446 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.986 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -75.92 88.57 2.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.648 0.261 . . . . 0.0 111.164 -179.831 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.719 ' CD1' HG11 ' A' ' 66' ' ' VAL . 23.6 t80 -51.93 -29.24 19.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.83 -179.737 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.37 -43.14 39.22 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 113.306 -179.308 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 84.4 mtt-85 -76.12 -35.87 59.1 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -179.263 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.479 ' HA ' HD13 ' A' ' 19' ' ' LEU . 13.8 ptp -67.34 -43.34 81.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.685 0.279 . . . . 0.0 111.054 -179.951 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -64.03 -33.68 76.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.901 0.381 . . . . 0.0 110.155 179.359 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -62.88 -38.04 89.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.207 179.346 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.524 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -76.47 -41.57 46.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.666 179.563 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.428 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 14.9 t80 -53.03 -47.07 68.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.813 179.636 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.87 -38.06 76.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.019 -179.925 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.1 mm100 -64.91 -55.36 19.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.775 179.947 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.557 ' HA ' HD21 ' A' ' 40' ' ' LEU . 14.7 mm100 -69.33 -17.91 63.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.119 179.86 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.71 -28.59 68.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.991 0.424 . . . . 0.0 110.266 179.135 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 81.2 mt -71.4 -37.94 71.49 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.964 179.877 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.557 HD21 ' HA ' ' A' ' 37' ' ' GLN . 0.4 OUTLIER -84.89 -10.77 56.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.653 -179.89 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.751 HD22 ' HB3' ' A' ' 51' ' ' LEU . 31.4 mt -94.3 1.31 55.94 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.7 0.286 . . . . 0.0 111.312 179.559 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.469 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 16.6 t-80 -82.81 140.92 43.79 Favored Pre-proline 0 C--N 1.332 -0.195 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.184 179.641 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 20.5 Cg_endo -62.64 -9.13 14.94 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.461 2.107 . . . . 0.0 113.01 -179.463 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -93.09 -27.08 17.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.774 0.321 . . . . 0.0 110.766 179.628 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.405 ' HD3' ' HB3' ' A' ' 42' ' ' HIS . 0.1 OUTLIER -99.09 29.08 4.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.747 179.825 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 62.57 82.45 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.47 -179.913 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -155.52 -177.89 29.2 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.492 179.958 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.6 ' HB2' HD12 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -90.26 136.14 33.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.854 0.359 . . . . 0.0 110.801 -179.959 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 58.3 m80 -67.61 -42.39 82.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.925 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.34 -34.98 77.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 -179.949 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.76 HD22 HD21 ' A' ' 16' ' ' LEU . 8.0 mt -60.22 -49.14 78.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.844 -179.958 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 11.0 tpt -53.09 -38.52 62.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.803 179.79 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -76.07 -30.72 58.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.81 179.825 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -61.62 -53.04 61.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.665 179.898 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.724 HD11 ' CD2' ' A' ' 17' ' ' LEU . 11.6 tp -58.42 -47.43 83.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.062 179.793 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -58.67 -45.22 89.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.905 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.7 m -72.89 -32.51 65.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.635 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 10.0 mt -81.16 -22.78 38.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 -179.941 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.541 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 58.9 t-105 -90.47 -26.62 19.72 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 179.851 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.447 ' HA2' ' NZ ' ' A' ' 63' ' ' LYS . . . -68.94 -65.33 2.66 Favored Glycine 0 C--N 1.333 0.41 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.047 179.344 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.735 HG23 HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -50.71 -49.53 57.42 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 178.821 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.522 ' HB2' ' O ' ' A' ' 58' ' ' LEU . 5.6 t80 -45.62 -53.82 8.61 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 113.459 -1.7 . . . . 0.0 109.34 177.588 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.557 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 0.2 OUTLIER -53.2 -39.28 63.57 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.167 -1.379 . . . . 0.0 111.246 179.624 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.428 ' HB ' ' O ' ' A' ' 61' ' ' THR . 89.3 m -49.94 -37.61 32.73 Favored 'General case' 0 CA--C 1.521 -0.158 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 178.807 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -85.3 -29.74 24.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.878 178.305 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.888 ' HA ' HD23 ' A' ' 69' ' ' LEU . 83.9 t -58.19 -42.52 83.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.404 -179.73 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.29 -37.39 85.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.091 -179.767 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -90.43 -13.17 35.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.711 -179.913 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.888 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -60.52 -39.07 86.46 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.935 0.398 . . . . 0.0 110.224 179.937 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.98 0.82 14.58 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.894 -179.877 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.6 mmt -117.93 -27.74 6.09 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.716 179.728 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -97.53 -67.46 0.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.854 179.76 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.69 79.13 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.786 -179.936 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -166.59 65.31 0.2 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.657 179.958 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -79.81 178.48 53.75 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.374 179.945 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.1 t -75.21 122.85 24.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.914 0.388 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 166.41 73.84 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.235 179.991 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -89.12 114.81 26.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.796 0.331 . . . . 0.0 110.917 -179.739 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 179.9 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.781 0.325 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -60.51 122.72 15.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -146.67 94.08 2.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.262 179.93 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.6 m -137.53 129.88 41.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.115 0.483 . . . . 0.0 111.57 -179.485 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.734 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 1.6 pt? -85.02 134.63 34.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.411 179.452 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.3 p -65.58 177.15 1.26 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.527 -178.841 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -56.2 -36.48 68.45 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.424 179.724 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.52 -39.31 88.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.948 179.767 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.734 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 10.0 m-20 -70.85 -56.28 6.65 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.98 -179.799 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.599 ' HA ' HD11 ' A' ' 5' ' ' LEU . 6.9 ptmt -57.75 -35.65 71.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.615 -179.891 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.438 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 4.5 mm-40 -73.48 -33.15 64.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.067 0.461 . . . . 0.0 109.831 178.857 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 -68.66 -26.95 65.57 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.112 179.044 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.792 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.7 tp -72.32 -35.37 68.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.782 179.068 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.66 HD21 ' HE3' ' A' ' 24' ' ' TRP . 13.5 mt -69.25 -38.69 78.59 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.839 179.788 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -55.25 37.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.741 179.903 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.57 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -70.69 -11.36 60.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.163 179.89 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.792 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.1 mm? -90.14 -7.69 53.07 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.749 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.93 19.5 2.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.217 0.532 . . . . 0.0 110.286 -178.744 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.786 HD21 ' CD2' ' A' ' 23' ' ' LEU . 6.4 tt -113.01 113.26 49.58 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.571 -179.574 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.441 ' O ' HD23 ' A' ' 19' ' ' LEU . 84.0 Cg_exo -46.48 166.07 0.08 OUTLIER 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.92 2.413 . . . . 0.0 113.582 -178.531 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.434 ' HA ' HD13 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -90.16 -3.3 57.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.192 179.401 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -78.96 -32.53 45.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.038 0.447 . . . . 0.0 111.065 -178.956 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.786 ' CD2' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -101.06 15.16 29.62 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.991 179.983 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.66 ' HE3' HD21 ' A' ' 14' ' ' LEU . 53.6 t-105 -54.84 98.37 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.195 179.533 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 156.41 -28.73 0.56 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.552 -0.832 . . . . 0.0 112.91 179.873 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -75.85 95.29 3.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.74 0.305 . . . . 0.0 111.285 -179.714 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.713 ' CE1' HG11 ' A' ' 66' ' ' VAL . 35.3 t80 -52.05 -33.62 39.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.58 -179.831 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.13 -34.16 80.42 Favored Glycine 0 CA--C 1.517 0.198 0 C-N-CA 120.731 -0.747 . . . . 0.0 113.141 -179.407 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.4 mtt85 -80.98 -46.19 15.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.813 0.307 . . . . 0.0 111.333 -179.626 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.761 ' HA ' HD13 ' A' ' 19' ' ' LEU . 16.1 ptp -59.69 -45.62 91.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.684 0.278 . . . . 0.0 110.933 -179.864 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -63.22 -43.44 98.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.368 179.668 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -55.78 -34.31 65.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.184 0.516 . . . . 0.0 110.088 179.214 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.589 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -80.1 -48.09 13.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.31 179.277 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.459 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 15.3 t80 -47.55 -43.84 25.44 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.26 179.853 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -74.32 -36.54 63.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.936 0.398 . . . . 0.0 110.752 179.982 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -36.65 84.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.673 179.858 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.57 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 21.7 mm100 -90.13 -19.25 24.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.21 -179.929 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.3 m -75.27 -29.98 60.3 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.903 0.383 . . . . 0.0 110.664 179.57 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.9 mt -64.4 -31.79 73.15 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.126 -179.823 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.0 pp -88.15 -18.39 28.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.844 179.928 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.673 HD22 ' HB3' ' A' ' 51' ' ' LEU . 56.3 mt -88.22 13.06 12.24 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 120.76 0.314 . . . . 0.0 111.001 179.24 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.448 ' CD2' ' HB2' ' A' ' 44' ' ' ASP . 49.6 t60 -89.58 130.92 41.6 Favored Pre-proline 0 CA--C 1.53 0.199 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.358 179.767 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.445 ' HD2' ' ND1' ' A' ' 42' ' ' HIS . 13.3 Cg_endo -56.31 -15.12 13.91 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.71 2.273 . . . . 0.0 113.051 -179.613 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.448 ' HB2' ' CD2' ' A' ' 42' ' ' HIS . 1.9 t70 -82.44 -20.35 37.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.689 0.28 . . . . 0.0 111.112 179.888 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.6 mmtt -108.19 30.92 5.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.926 0.393 . . . . 0.0 110.938 -179.876 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.44 50.95 34.51 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.649 -179.991 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -122.32 172.09 15.56 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.387 179.834 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.819 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -89.33 150.83 22.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.814 0.34 . . . . 0.0 110.893 179.999 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -79.17 -31.41 43.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.87 -35.53 64.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.52 -179.725 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.819 HD13 ' HB2' ' A' ' 48' ' ' SER . 3.2 mp -62.82 -51.71 65.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.279 -179.61 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 9.2 tpt -54.08 -46.72 72.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.352 -179.714 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -71.98 -24.84 61.65 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.079 -179.961 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -47.87 70.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.991 0.424 . . . . 0.0 110.65 179.634 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.516 HD11 HD21 ' A' ' 17' ' ' LEU . 12.7 tp -64.1 -37.8 88.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.923 -179.943 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.43 -36.87 85.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.765 179.901 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.37 -30.98 68.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 179.806 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.624 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 18.4 mt -83.77 -30.77 26.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.7 179.731 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.579 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 62.5 t-105 -88.62 -13.09 40.75 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.924 179.415 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.423 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -78.46 -63.23 2.16 Favored Glycine 0 C--N 1.336 0.576 0 C-N-CA 121.175 -0.536 . . . . 0.0 112.198 179.39 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.588 HG21 ' HB3' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -55.63 -49.7 72.16 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 179.268 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.553 ' N ' ' CG2' ' A' ' 61' ' ' THR . 5.5 t80 -44.2 -48.85 9.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 113.484 -1.689 . . . . 0.0 109.482 178.067 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.579 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 2.6 ttmt -57.81 -34.94 70.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.037 -1.438 . . . . 0.0 110.996 179.754 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.2 m -47.99 -37.64 15.15 Favored 'General case' 0 CA--C 1.52 -0.2 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.08 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.463 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 17.9 mm-40 -84.79 -32.36 23.41 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.536 178.646 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 1.01 ' HA ' HD23 ' A' ' 69' ' ' LEU . 90.6 t -58.83 -36.56 61.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.813 179.841 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -65.52 -35.45 80.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.768 179.907 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.463 ' ND2' ' HA ' ' A' ' 65' ' ' GLU . 15.9 p30 -90.53 -15.62 30.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.66 -179.848 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 1.01 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -63.72 -38.8 92.47 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-O 120.796 0.331 . . . . 0.0 110.274 -179.892 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -71.81 1.11 7.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 112.168 -179.594 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.4 mtt -107.33 -29.46 9.27 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.827 179.666 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -100.29 -17.19 17.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.416 -179.782 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.08 -55.98 2.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.885 0.374 . . . . 0.0 111.096 -179.904 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -55.67 -82.12 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.648 -179.896 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 128.33 56.67 0.11 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.333 179.947 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 7.3 t -65.02 119.62 11.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.879 0.371 . . . . 0.0 111.098 -179.809 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -100.68 46.29 1.35 Allowed Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.224 179.781 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -89.97 31.52 0.97 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.761 0.315 . . . . 0.0 111.136 -179.891 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.946 -179.96 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.813 0.34 . . . . 0.0 111.222 . . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -90.91 17.11 8.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.704 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 43.3 mtt85 -136.83 75.38 1.53 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.547 179.913 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.6 m -134.84 126.13 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.173 0.511 . . . . 0.0 111.307 -179.942 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.768 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER -88.91 144.29 26.29 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.996 179.665 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.4 p -90.4 -170.08 2.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.511 -179.105 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.417 ' HA ' ' CG ' ' A' ' 10' ' ' LYS . 34.1 mtp180 -61.76 -35.87 79.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.778 179.776 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.6 -42.79 81.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.319 -179.684 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.768 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 13.8 m-20 -72.39 -54.36 9.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.83 -179.926 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.417 ' CG ' ' HA ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -55.1 -33.03 62.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.831 0.348 . . . . 0.0 110.298 179.642 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -66.19 -37.31 85.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.089 179.153 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 -63.64 -37.5 87.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.856 179.436 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.661 ' O ' HD23 ' A' ' 17' ' ' LEU . 4.3 tp -63.4 -34.03 76.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.87 178.938 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.718 HD22 ' O ' ' A' ' 19' ' ' LEU . 11.2 mt -68.66 -38.81 80.71 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.139 -179.921 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -58.33 -44.79 88.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.4 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 1.0 OUTLIER -77.1 -13.08 60.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.144 179.836 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.661 HD23 ' O ' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -90.57 -12.79 36.01 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.724 -179.781 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.5 18.73 2.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.219 0.533 . . . . 0.0 110.4 -178.69 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.718 ' O ' HD22 ' A' ' 14' ' ' LEU . 1.6 tt -106.82 114.64 61.48 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.277 -179.604 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.525 ' HD2' HD11 ' A' ' 23' ' ' LEU . 44.3 Cg_exo -52.18 -179.48 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.518 2.146 . . . . 0.0 112.637 -179.392 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.6 mtt180 -84.98 -25.01 28.02 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.819 -179.508 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -64.21 -8.16 11.57 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.196 -0.456 . . . . 0.0 112.022 -179.755 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.771 HD23 ' N ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -132.98 17.19 4.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.865 0.364 . . . . 0.0 110.896 -179.785 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.629 ' HE3' HD21 ' A' ' 14' ' ' LEU . 39.7 t-105 -53.14 -23.01 7.17 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.045 179.837 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.2 -22.96 23.58 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.182 179.495 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -58.72 93.84 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.882 0.373 . . . . 0.0 110.729 179.844 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.562 ' CE1' HG11 ' A' ' 66' ' ' VAL . 15.0 t80 -58.51 -36.73 74.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.403 -179.656 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -69.02 -35.47 78.72 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.851 -0.69 . . . . 0.0 113.485 -179.133 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.444 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -83.89 -28.65 27.79 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -178.939 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.514 ' HA ' HD13 ' A' ' 19' ' ' LEU . 9.9 ptp -73.12 -44.88 59.64 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.889 -179.915 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.428 ' N ' ' HG3' ' A' ' 30' ' ' MET . 7.2 tt0 -68.41 -36.57 79.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.897 0.379 . . . . 0.0 110.29 179.512 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.441 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -61.39 -38.14 85.96 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.22 179.306 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.558 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -77.05 -41.92 40.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.934 179.82 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.47 ' CE2' ' CG ' ' A' ' 59' ' ' TRP . 8.2 t80 -49.82 -46.16 50.85 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.848 0.356 . . . . 0.0 110.7 179.858 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -76.42 -35.87 58.33 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.975 179.97 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.426 ' HB2' ' O ' ' A' ' 32' ' ' GLN . 0.3 OUTLIER -66.14 -34.57 78.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.738 179.825 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.643 ' O ' HD12 ' A' ' 41' ' ' LEU . 28.4 mm100 -87.62 -20.1 26.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.162 179.938 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 86.2 p -76.06 -32.51 59.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.669 179.577 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.0 mt -65.45 -35.35 80.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.996 -179.837 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 2.7 pp -86.12 -15.39 41.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.731 0.3 . . . . 0.0 111.039 179.772 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.643 HD12 ' O ' ' A' ' 37' ' ' GLN . 3.9 mt -95.14 7.28 46.61 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.906 0.384 . . . . 0.0 110.783 179.311 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.489 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 7.3 t-80 -70.51 141.74 88.34 Favored Pre-proline 0 N--CA 1.454 -0.239 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.524 179.95 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.489 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 28.6 Cg_endo -64.22 -19.16 65.56 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.807 2.338 . . . . 0.0 113.497 -178.961 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.04 -20.25 26.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.672 0.272 . . . . 0.0 111.222 -179.986 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.6 mmtt -99.14 30.33 3.5 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.897 0.379 . . . . 0.0 110.769 179.732 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.37 75.4 0.35 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.622 179.992 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -155.62 174.45 33.65 Favored Glycine 0 C--N 1.329 0.181 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.477 179.893 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.676 ' CB ' HD13 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -90.24 118.69 29.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.815 0.341 . . . . 0.0 110.744 179.962 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 46.9 p-80 -59.38 -41.8 90.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.197 -179.79 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.6 -35.7 63.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.742 0.306 . . . . 0.0 111.478 -179.752 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.676 HD13 ' CB ' ' A' ' 48' ' ' SER . 3.4 mp -63.36 -54.22 40.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.019 -179.942 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.12 -43.34 66.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 -179.782 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -70.0 -34.8 73.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.764 179.877 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -64.05 -36.85 85.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.596 179.793 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.583 HD11 HD21 ' A' ' 17' ' ' LEU . 12.3 tp -67.69 -35.59 79.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.798 179.89 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -63.03 -31.79 73.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.1 t -70.45 -47.92 58.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.186 -179.932 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.552 ' HB3' ' HB2' ' A' ' 13' ' ' LEU . 2.4 mt -70.26 -29.86 66.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.103 -179.798 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.574 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 68.0 t-105 -88.04 -18.28 29.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.319 179.784 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.14 -65.15 2.25 Favored Glycine 0 C--N 1.334 0.446 0 C-N-CA 120.942 -0.646 . . . . 0.0 112.16 179.44 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.537 HG21 ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -53.33 -49.86 66.19 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 107.376 -1.342 . . . . 0.0 107.376 179.208 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.531 ' N ' ' CG2' ' A' ' 61' ' ' THR . 3.7 t80 -44.73 -49.28 10.62 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 113.481 -1.69 . . . . 0.0 109.668 177.787 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.574 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 1.7 ttmt -57.45 -38.19 74.06 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.327 -1.306 . . . . 0.0 111.456 -179.971 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.1 m -47.02 -37.45 9.31 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.353 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -85.44 -32.83 22.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.723 178.187 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.937 ' HA ' HD23 ' A' ' 69' ' ' LEU . 81.7 t -56.36 -34.78 41.4 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.872 179.84 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -69.66 -39.67 76.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.179 -179.675 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.4 p30 -88.83 -11.56 44.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.516 179.856 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.937 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -59.63 -33.22 71.23 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 121.022 0.439 . . . . 0.0 110.731 179.815 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -75.02 1.24 13.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.057 -179.672 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.1 mtt -119.91 -42.02 2.63 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.56 179.711 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -59.74 166.73 2.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.874 179.879 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.63 41.68 1.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.996 179.935 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -98.28 41.15 2.31 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.342 179.94 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 139.01 -101.46 0.32 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.296 -179.896 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.6 t -83.51 119.91 25.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.777 0.323 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -122.68 -78.28 0.43 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.25 179.909 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -83.15 107.28 15.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.372 . . . . 0.0 110.586 179.761 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.186 -179.801 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 120.749 0.309 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -128.0 -71.39 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.149 -179.644 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.1 tpm_? -104.89 94.94 5.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.592 179.909 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.3 m -82.56 123.79 38.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.47 0.652 . . . . 0.0 110.985 -179.733 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.881 HD13 ' HB3' ' A' ' 10' ' ' LYS . 0.6 OUTLIER -90.43 144.38 25.86 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.553 -179.847 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.6 p -89.78 -177.9 5.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.773 179.796 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.01 -35.25 64.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.277 -179.843 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.78 -34.37 64.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.447 -179.811 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.668 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 24.4 m-20 -78.2 -50.57 11.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.017 -179.893 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.881 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -60.0 -35.26 74.65 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.005 0.431 . . . . 0.0 110.04 179.442 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.459 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 2.2 mm-40 -69.61 -33.12 72.22 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 178.857 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.6 -33.58 75.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.798 178.963 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.673 HD12 HD12 ' A' ' 55' ' ' LEU . 1.9 tp -61.2 -38.76 87.72 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.808 179.036 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.693 HD22 ' O ' ' A' ' 19' ' ' LEU . 36.8 mt -66.77 -35.57 80.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.103 179.753 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -54.32 -61.88 2.02 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.736 179.939 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.7 mp -68.27 -12.41 60.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 179.546 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.667 ' O ' ' HB1' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -90.08 -10.25 45.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.967 -179.8 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.31 19.11 2.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.359 0.599 . . . . 0.0 110.11 -178.875 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 1.117 HD11 HD21 ' A' ' 23' ' ' LEU . 2.6 tm? -111.97 98.9 43.87 Favored Pre-proline 0 N--CA 1.446 -0.637 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.48 -179.341 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.432 ' O ' HD13 ' A' ' 23' ' ' LEU . 88.5 Cg_exo -39.92 165.02 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.488 2.792 . . . . 0.0 114.134 -178.306 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.441 ' HA ' HD13 ' A' ' 14' ' ' LEU . 4.6 ptt-85 -90.21 -5.37 56.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.023 179.164 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -34.85 60.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.977 0.417 . . . . 0.0 110.958 -179.3 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.117 HD21 HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -98.31 4.12 48.69 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.22 179.867 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.679 ' CE3' HD11 ' A' ' 14' ' ' LEU . 59.7 t-105 -44.68 98.29 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.357 179.607 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.96 -26.1 0.63 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.607 -179.998 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.439 ' O ' ' HG2' ' A' ' 30' ' ' MET . 12.8 t0 -81.91 82.5 7.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.731 0.301 . . . . 0.0 111.018 -179.834 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.807 ' CD1' HG11 ' A' ' 66' ' ' VAL . 28.7 t80 -42.06 -31.34 0.35 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.917 -179.77 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.451 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -67.95 -37.96 88.4 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.931 -179.674 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.0 mtm180 -81.09 -49.12 11.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.663 0.268 . . . . 0.0 111.567 -179.427 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.711 ' HA ' ' HG ' ' A' ' 19' ' ' LEU . 8.4 ptp -58.53 -47.18 85.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.467 -179.467 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -63.82 -40.31 96.31 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.52 179.844 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.451 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.7 OUTLIER -58.15 -39.96 80.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.078 0.466 . . . . 0.0 110.223 179.348 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.667 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -71.37 -39.6 71.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.289 179.188 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.458 ' CE2' ' CB ' ' A' ' 59' ' ' TRP . 14.0 t80 -54.11 -46.55 72.15 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.562 179.441 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.5 mttm -64.27 -43.61 94.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.086 179.937 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -58.78 -35.89 73.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.875 0.369 . . . . 0.0 110.771 179.905 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.475 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 10.9 mm100 -90.26 -19.89 23.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.231 -179.891 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.3 p -72.45 -31.42 65.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.78 0.324 . . . . 0.0 110.605 179.739 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 mt -68.44 -33.7 74.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.455 -179.654 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.7 pp -86.22 -15.67 40.1 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.651 0.262 . . . . 0.0 110.845 179.643 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.515 HD22 ' HB3' ' A' ' 51' ' ' LEU . 35.1 mt -90.72 4.86 50.35 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 120.786 0.326 . . . . 0.0 110.798 179.377 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.527 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 2.6 t-80 -90.15 137.72 27.74 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.435 179.921 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.527 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 18.5 Cg_endo -60.03 -13.94 25.8 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.6 2.2 . . . . 0.0 112.766 -179.86 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.77 -18.5 34.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.672 0.272 . . . . 0.0 110.907 179.562 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -117.54 30.21 7.41 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.026 -179.944 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 75.51 42.14 28.04 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.705 179.83 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -122.13 167.24 14.7 Favored Glycine 0 C--N 1.329 0.155 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 179.871 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.8 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -90.19 154.71 19.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.705 0.288 . . . . 0.0 110.637 179.938 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.481 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 10.4 t-160 -83.23 -29.69 28.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.025 -179.941 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.94 -34.54 44.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.401 -179.786 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.8 HD13 ' HB2' ' A' ' 48' ' ' SER . 1.6 mp -63.74 -51.35 65.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.783 -179.878 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 10.8 tpt -57.22 -30.98 65.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.98 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 12.6 mm-40 -80.45 -39.29 28.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.775 179.931 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -59.99 -49.53 77.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.853 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.673 HD12 HD12 ' A' ' 13' ' ' LEU . 13.4 tp -66.33 -32.84 74.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.706 179.826 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.1 -35.37 76.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.605 179.852 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.78 -40.99 79.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.478 179.613 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.715 ' HA ' HD23 ' A' ' 5' ' ' LEU . 6.0 mt -70.83 -28.89 64.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.564 179.76 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.564 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 70.1 t-105 -90.49 -20.01 23.19 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 179.255 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.03 -63.95 2.42 Favored Glycine 0 C--N 1.336 0.57 0 C-N-CA 121.062 -0.59 . . . . 0.0 112.294 179.388 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.532 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -53.3 -49.48 66.93 Favored 'General case' 0 CA--C 1.51 -0.58 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 179.143 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.541 ' O ' HG23 ' A' ' 66' ' ' VAL . 2.0 t80 -45.27 -50.67 11.66 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 113.428 -1.715 . . . . 0.0 109.322 177.644 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.598 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 0.9 OUTLIER -59.4 -35.71 74.46 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.31 -1.314 . . . . 0.0 110.81 179.546 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.473 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 26.2 m -51.95 -36.58 49.85 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.102 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 69' ' ' LEU . 2.1 mm-40 -83.67 -28.85 28.08 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.12 -0.946 . . . . 0.0 109.047 177.774 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.985 ' HA ' HD23 ' A' ' 69' ' ' LEU . 74.1 t -63.79 -62.07 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.101 179.6 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.473 ' CE2' ' HA ' ' A' ' 64' ' ' THR . 1.4 p90 -50.95 -28.42 9.75 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.986 0.422 . . . . 0.0 110.734 -179.802 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -90.77 -23.14 20.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.07 179.512 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.985 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -59.08 -32.67 70.0 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.836 0.35 . . . . 0.0 110.801 -179.553 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -76.97 1.02 18.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.888 -179.795 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -110.38 20.93 17.26 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.834 179.686 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -111.01 -33.44 6.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.914 -179.866 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.9 tt -82.3 87.63 6.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.687 -179.983 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 140.36 -41.72 1.27 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.388 179.973 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.09 175.13 33.25 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.429 -179.966 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 24.9 p -77.41 126.39 30.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 0.0 110.797 -179.833 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -169.52 65.91 0.17 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.44 179.889 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -98.89 82.19 2.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.919 0.39 . . . . 0.0 110.696 -179.978 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.908 179.899 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpp? . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.783 0.325 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -62.41 -174.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.744 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.8 mtt180 -101.66 80.76 2.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.977 179.965 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.7 m -138.0 124.14 26.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.254 0.549 . . . . 0.0 111.209 179.81 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.739 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 1.9 pt? -88.05 138.58 31.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.725 -179.975 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.6 p -77.11 178.51 6.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.417 -179.031 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.6 ttt-85 -56.19 -32.91 64.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.709 179.798 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.61 -37.19 76.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.99 179.915 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.739 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -64.72 -60.26 3.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.895 -179.998 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.456 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -57.51 -37.8 73.6 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.266 0.555 . . . . 0.0 109.767 179.638 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -68.96 -26.7 65.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.753 178.47 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.2 -30.46 25.76 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.174 179.356 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.661 ' O ' HD23 ' A' ' 17' ' ' LEU . 1.5 tp -67.42 -32.6 73.59 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.021 179.302 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.857 HD22 ' O ' ' A' ' 19' ' ' LEU . 16.1 mt -69.58 -40.97 76.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.792 179.73 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -54.31 -47.27 72.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.717 179.924 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.464 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 0.4 OUTLIER -78.39 -15.65 58.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.997 179.697 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.661 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.3 mm? -90.49 -6.57 54.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.727 -179.999 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 mttp 53.37 20.14 1.86 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.34 0.591 . . . . 0.0 110.108 -178.846 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.857 ' O ' HD22 ' A' ' 14' ' ' LEU . 3.6 tt -112.12 110.03 54.11 Favored Pre-proline 0 N--CA 1.449 -0.507 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.16 -179.062 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.42 ' O ' HD13 ' A' ' 23' ' ' LEU . 76.0 Cg_exo -49.57 170.06 0.1 Allowed 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.638 2.226 . . . . 0.0 113.095 -179.03 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.453 ' HG3' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -89.71 -8.93 51.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.08 179.489 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.32 -36.34 74.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.157 0.503 . . . . 0.0 110.752 -179.397 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.744 HD21 ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -100.76 11.82 38.76 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.153 179.839 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.679 ' HE3' HD21 ' A' ' 14' ' ' LEU . 66.5 t-105 -51.73 92.54 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.243 179.364 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 161.15 -27.14 0.28 Allowed Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.812 179.868 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -76.6 87.74 3.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.815 0.34 . . . . 0.0 111.133 -179.747 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.832 ' CD1' HG11 ' A' ' 66' ' ' VAL . 28.0 t80 -44.46 -46.98 9.92 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.699 -179.967 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.31 -34.45 67.83 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.953 -179.595 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.593 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -75.43 -55.41 5.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.664 0.269 . . . . 0.0 111.043 -179.727 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.803 ' HA ' HD13 ' A' ' 19' ' ' LEU . 10.1 ptp -56.21 -46.64 79.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.223 -179.789 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -59.92 -34.48 73.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.898 0.38 . . . . 0.0 110.693 179.838 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -60.52 -41.91 95.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.559 179.638 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.421 ' HB1' ' OE1' ' A' ' 37' ' ' GLN . . . -75.53 -41.68 54.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.848 179.677 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.487 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 10.0 t80 -49.3 -48.67 46.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.551 179.644 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.7 mmtt -69.22 -33.03 72.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.676 179.681 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -66.56 -51.68 53.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.95 -179.984 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 13.2 mp0 -74.88 -20.1 59.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.809 0.338 . . . . 0.0 111.326 -179.72 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.4 -28.05 68.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.525 179.415 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.6 mt -77.98 -30.47 50.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.272 -179.845 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.429 ' HG ' ' HA ' ' A' ' 37' ' ' GLN . 1.5 pp -89.67 -17.07 29.08 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.675 0.274 . . . . 0.0 110.961 179.524 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 73.0 mt -94.92 14.81 20.43 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.875 0.369 . . . . 0.0 110.267 178.681 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.557 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 9.1 t-80 -86.76 137.61 33.66 Favored Pre-proline 0 C--N 1.332 -0.173 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.573 -179.863 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.557 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 29.0 Cg_endo -62.67 -9.66 16.87 Favored 'Trans proline' 0 CA--C 1.531 0.331 0 C-N-CA 122.835 2.357 . . . . 0.0 113.257 -179.466 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -90.16 -27.1 19.81 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.691 0.282 . . . . 0.0 111.187 179.913 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt -95.46 31.08 2.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.088 -179.974 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.84 33.4 83.98 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.438 -179.845 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -103.0 -179.47 26.39 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.529 179.936 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.72 ' HB2' HD12 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -90.2 148.13 23.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.332 . . . . 0.0 111.001 -179.972 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -83.21 -45.27 14.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.899 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.91 -18.72 65.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.703 -179.909 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.72 HD12 ' HB2' ' A' ' 48' ' ' SER . 7.4 mt -76.22 -49.13 17.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.762 0.315 . . . . 0.0 111.088 -179.799 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.67 -49.77 56.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.098 -179.909 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.437 ' HA ' ' OD1' ' A' ' 56' ' ' ASN . 0.9 OUTLIER -64.77 -19.63 65.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.993 179.76 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.599 ' O ' HD12 ' A' ' 58' ' ' LEU . 3.3 tt0 -76.17 -29.95 57.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 110.707 179.906 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.487 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 7.3 tp -80.14 -54.38 5.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.332 -179.647 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.437 ' OD1' ' HA ' ' A' ' 53' ' ' GLN . 9.1 p30 -58.36 -45.22 88.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.679 0.276 . . . . 0.0 111.266 -179.46 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.7 t -61.94 -29.48 70.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.813 0.34 . . . . 0.0 110.741 179.826 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.599 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 7.4 mt -88.28 -26.88 22.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.761 179.602 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.524 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 57.7 t-105 -87.84 -15.49 36.64 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.809 179.507 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.475 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -79.21 -61.1 2.41 Favored Glycine 0 C--N 1.336 0.552 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.572 179.041 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.677 HG23 HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -54.85 -50.35 68.88 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 178.425 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.561 ' N ' ' CG2' ' A' ' 61' ' ' THR . 4.5 t80 -44.24 -52.67 7.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 113.519 -1.673 . . . . 0.0 109.363 177.842 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.573 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 1.1 ttmt -53.3 -39.5 64.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.304 -1.317 . . . . 0.0 111.245 179.489 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 41.4 m -47.87 -37.56 14.27 Favored 'General case' 0 CA--C 1.521 -0.138 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 178.995 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.417 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 2.4 mm-40 -85.71 -31.17 22.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.73 178.375 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.946 ' HA ' HD23 ' A' ' 69' ' ' LEU . 99.0 t -58.17 -38.25 67.02 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.154 179.966 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.24 -35.64 81.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.846 -179.755 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.417 ' ND2' ' HA ' ' A' ' 65' ' ' GLU . 20.8 p30 -90.73 -16.98 27.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.592 179.985 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.946 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -59.48 -29.79 68.08 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.717 0.294 . . . . 0.0 110.731 -179.495 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -74.0 0.98 11.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.078 0.466 . . . . 0.0 111.812 -179.713 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.5 mtt -102.8 -23.81 13.75 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.612 179.44 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -69.96 106.73 3.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.942 179.909 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.9 pp -119.05 7.37 11.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.334 179.799 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 165.28 -176.1 40.98 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.624 -179.996 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.4 -19.69 59.97 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.799 -179.988 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.5 m -90.78 113.73 25.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.749 0.309 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -136.28 -48.75 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.705 -179.884 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -155.39 98.54 1.98 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.946 0.403 . . . . 0.0 111.189 -179.781 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.66 179.812 . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.912 0.387 . . . . 0.0 111.27 . . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -171.04 -64.8 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.511 179.867 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.53 89.48 6.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.278 179.481 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 25.4 m -138.5 122.57 20.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.157 0.503 . . . . 0.0 110.962 -179.835 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.847 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER -88.51 144.4 26.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.385 0.612 . . . . 0.0 112.229 179.885 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.1 p -90.12 -175.71 4.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.565 -179.934 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.402 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -55.98 -38.63 70.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.007 179.856 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.96 -32.36 73.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.733 -179.475 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.847 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 27.1 m-20 -85.65 -50.45 7.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.144 -179.725 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.551 ' HE2' ' CZ2' ' A' ' 24' ' ' TRP . 0.6 OUTLIER -57.89 -34.66 70.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.91 0.386 . . . . 0.0 110.164 179.659 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -69.57 -31.47 69.67 Favored 'General case' 0 C--O 1.233 0.184 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.702 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.426 ' HB3' ' O ' ' A' ' 9' ' ' ASP . 20.2 ttt180 -61.82 -34.88 76.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.282 178.627 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.719 ' O ' HD23 ' A' ' 17' ' ' LEU . 3.3 tp -68.21 -31.38 70.85 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.562 178.583 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.807 HD22 ' O ' ' A' ' 19' ' ' LEU . 12.4 mt -73.71 -41.62 62.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.86 179.668 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -53.05 -45.28 67.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.689 -179.942 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.444 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -77.71 -17.45 57.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.868 179.707 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.719 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.5 mm? -89.0 -8.97 53.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.976 -179.548 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 53.96 20.05 2.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.302 0.572 . . . . 0.0 110.168 -178.847 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.809 HD13 ' HA ' ' A' ' 30' ' ' MET . 4.1 tt -108.92 109.07 61.06 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.797 -179.199 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.466 ' O ' HD13 ' A' ' 23' ' ' LEU . 78.1 Cg_exo -48.88 165.08 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.795 2.33 . . . . 0.0 113.438 -178.629 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.506 ' HG3' HD12 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -83.9 -3.11 57.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.911 179.342 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -77.67 -33.68 53.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.032 0.444 . . . . 0.0 111.014 -179.022 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.795 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -109.67 20.06 18.51 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.874 179.805 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.67 ' HE3' HD21 ' A' ' 14' ' ' LEU . 58.2 t-105 -53.12 -19.21 2.69 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.672 179.522 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.31 -14.06 79.45 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.798 -0.715 . . . . 0.0 113.262 -179.794 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -81.56 119.76 24.19 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.831 0.316 . . . . 0.0 111.214 -179.705 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.687 ' CE1' HG11 ' A' ' 66' ' ' VAL . 23.9 t80 -79.28 -41.68 27.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.206 -179.924 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.78 -29.13 74.45 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.892 -179.598 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.752 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -79.18 -43.78 23.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.618 0.246 . . . . 0.0 111.41 -179.552 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.809 ' HA ' HD13 ' A' ' 19' ' ' LEU . 18.1 ptp -62.54 -45.78 91.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.264 -179.636 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -66.0 -33.65 76.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.7 0.286 . . . . 0.0 110.779 -179.991 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -42.68 99.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.496 179.641 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.489 ' HB3' ' CD1' ' A' ' 17' ' ' LEU . . . -74.65 -38.01 62.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.895 179.835 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.482 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 9.0 t80 -54.31 -45.41 72.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.638 179.805 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.37 -28.63 62.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.966 -179.872 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -66.76 -45.96 76.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.941 -179.922 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 32.2 mm-40 -78.4 -19.16 53.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.221 179.996 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.7 m -65.7 -28.41 69.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.667 179.505 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.62 -32.14 60.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 -179.866 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.661 HD12 ' HG ' ' A' ' 41' ' ' LEU . 3.6 pp -89.95 -19.04 24.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.193 179.958 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.661 ' HG ' HD12 ' A' ' 40' ' ' LEU . 15.4 mt -94.46 15.09 18.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.615 179.327 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.436 ' ND1' ' HD2' ' A' ' 43' ' ' PRO . 77.7 t60 -89.06 135.11 32.03 Favored Pre-proline 0 N--CA 1.455 -0.217 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.726 -179.86 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.436 ' HD2' ' ND1' ' A' ' 42' ' ' HIS . 82.7 Cg_exo -44.85 -27.25 2.35 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.878 2.385 . . . . 0.0 113.072 -179.879 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -83.18 -22.43 33.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.693 0.282 . . . . 0.0 111.585 -179.474 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.61 31.13 5.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.92 -179.737 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.76 35.43 80.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.424 -179.972 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -98.67 152.3 19.7 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.544 -179.994 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.708 ' HB2' HD13 ' A' ' 51' ' ' LEU . 1.6 m -89.31 158.04 17.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.757 0.313 . . . . 0.0 110.689 179.944 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.465 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 1.9 t60 -75.67 -63.91 1.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.721 -179.975 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.48 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -50.15 -35.15 24.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.276 179.965 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.708 HD13 ' HB2' ' A' ' 48' ' ' SER . 0.2 OUTLIER -65.86 -50.24 65.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.221 -179.761 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 10.3 tpt -65.11 -39.08 92.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.302 -179.593 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 8.7 mm100 -73.26 -33.71 65.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.779 0.323 . . . . 0.0 110.971 -179.901 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.48 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 0.5 OUTLIER -62.7 -40.56 97.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.372 . . . . 0.0 110.776 179.953 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.577 HD11 HD21 ' A' ' 17' ' ' LEU . 11.2 tp -65.34 -43.65 90.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.822 -179.865 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.84 -35.28 79.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.653 179.831 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.64 -38.75 70.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.718 179.881 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.524 HD23 ' CD2' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -78.06 -27.34 48.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.618 179.852 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.599 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 59.8 t-105 -88.91 -23.62 22.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.083 179.827 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.4 -63.66 3.16 Favored Glycine 0 C--N 1.334 0.425 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.936 179.193 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.547 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -52.55 -49.88 64.01 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 179.166 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.547 ' N ' ' CG2' ' A' ' 61' ' ' THR . 4.3 t80 -46.34 -54.97 7.99 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 113.265 -1.789 . . . . 0.0 109.4 177.65 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.615 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 0.1 OUTLIER -51.11 -41.24 59.9 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.279 -1.328 . . . . 0.0 111.113 179.854 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.1 m -49.21 -37.09 21.73 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.79 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 69' ' ' LEU . 1.8 mm-40 -85.65 -30.55 23.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.608 178.083 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.963 ' HA ' HD23 ' A' ' 69' ' ' LEU . 72.9 t -58.44 -53.38 47.31 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.285 -179.993 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -54.83 -33.25 61.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.756 179.842 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -90.75 -18.45 24.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.768 -179.845 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.963 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -64.71 -34.19 77.72 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.838 0.352 . . . . 0.0 110.546 -179.107 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -72.74 0.96 9.39 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.776 -179.949 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -104.49 -25.0 12.96 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.447 179.361 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -73.7 128.88 36.72 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.794 179.783 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -116.24 -37.0 3.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.956 179.959 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -165.39 -158.47 10.64 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.57 -179.962 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 175.53 -37.05 0.1 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.388 179.983 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.46 136.86 47.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.793 0.33 . . . . 0.0 110.846 179.785 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 143.33 -58.84 0.54 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.389 -179.873 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.95 179.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 0.0 110.871 179.916 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 -179.92 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 ttt . . . . . 0 N--CA 1.485 1.323 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.72 136.2 55.16 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.805 0.336 . . . . 0.0 110.919 179.925 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.12 95.11 5.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.741 179.915 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 19.7 m -69.87 127.54 31.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.143 0.497 . . . . 0.0 110.862 179.779 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.849 HD13 ' HB3' ' A' ' 10' ' ' LYS . 0.6 OUTLIER -90.29 140.5 29.63 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.822 -179.821 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.1 p -90.06 -173.01 3.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.7 ttp-105 -57.83 -32.87 68.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.282 -179.925 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.87 -38.04 58.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.62 -179.502 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.602 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 2.8 m-20 -76.27 -51.79 11.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.291 -179.609 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.849 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -58.39 -32.29 68.48 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.804 0.335 . . . . 0.0 110.29 179.826 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.438 ' HG2' ' HD2' ' A' ' 10' ' ' LYS . 1.6 mm-40 -66.62 -36.21 82.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.139 0.495 . . . . 0.0 109.699 178.809 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -66.15 -37.21 85.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.899 179.24 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.843 HD12 HD12 ' A' ' 55' ' ' LEU . 2.0 tp -60.82 -31.07 70.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.997 179.009 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.799 HD22 ' O ' ' A' ' 19' ' ' LEU . 12.4 mt -70.47 -37.51 74.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.797 179.665 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -55.31 -49.13 72.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.583 179.779 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mp -72.54 -14.44 61.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.008 179.537 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.764 HD23 ' O ' ' A' ' 13' ' ' LEU . 2.5 mm? -90.14 -10.73 43.47 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.996 -179.771 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.14 19.05 2.64 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.331 0.586 . . . . 0.0 110.011 -178.876 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.818 HD21 HD21 ' A' ' 23' ' ' LEU . 3.5 tt -113.08 111.5 50.51 Favored Pre-proline 0 N--CA 1.45 -0.468 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.69 -179.129 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.432 ' O ' HD13 ' A' ' 23' ' ' LEU . 86.1 Cg_exo -44.49 167.28 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.755 2.303 . . . . 0.0 113.553 -178.745 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.409 ' HA ' ' CD1' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -90.12 -12.16 39.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.203 179.745 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.84 -35.17 74.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.006 -179.354 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.818 HD21 HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -97.63 5.71 49.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.36 179.856 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.491 ' HE3' HD21 ' A' ' 14' ' ' LEU . 44.3 t-105 -47.49 93.53 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.356 179.546 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 162.35 -30.01 0.28 Allowed Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.812 179.889 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -72.57 90.64 1.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.787 0.327 . . . . 0.0 111.047 -179.768 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.677 ' CE1' HG11 ' A' ' 66' ' ' VAL . 16.2 t80 -46.11 -40.34 10.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.754 -179.886 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.51 -38.11 95.26 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.817 -0.706 . . . . 0.0 113.168 -179.467 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.4 mmt85 -79.37 -49.42 12.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.724 0.262 . . . . 0.0 111.676 -179.311 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.607 ' HA ' HD13 ' A' ' 19' ' ' LEU . 15.1 ptp -58.1 -44.33 87.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.681 0.277 . . . . 0.0 111.224 -179.564 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -66.66 -34.82 78.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.724 0.297 . . . . 0.0 110.625 179.858 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.44 -44.4 97.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.208 179.529 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.584 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -71.2 -40.67 71.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.698 179.593 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.439 ' HB2' HD11 ' A' ' 17' ' ' LEU . 10.9 t80 -53.06 -55.5 23.34 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.536 179.668 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.474 ' O ' HD12 ' A' ' 39' ' ' LEU . 6.4 mmtt -63.75 -30.92 71.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.894 179.904 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.35 -34.47 63.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 -179.79 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.501 ' O ' HD12 ' A' ' 41' ' ' LEU . 13.4 mm100 -90.07 -21.12 22.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.385 -179.637 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 93.1 p -69.85 -28.8 65.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.837 0.351 . . . . 0.0 110.813 179.697 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -69.96 -38.44 76.09 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.175 -179.782 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.5 pp -84.15 -10.51 57.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.656 0.265 . . . . 0.0 111.055 179.616 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.52 HD22 ' HB3' ' A' ' 51' ' ' LEU . 9.7 mt -94.31 -8.29 39.41 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.833 0.349 . . . . 0.0 111.307 179.741 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.508 ' ND1' ' HD2' ' A' ' 43' ' ' PRO . 24.8 t60 -66.78 141.57 96.93 Favored Pre-proline 0 CA--C 1.532 0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.249 179.424 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.508 ' HD2' ' ND1' ' A' ' 42' ' ' HIS . 32.9 Cg_endo -65.45 -12.25 34.12 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.65 2.234 . . . . 0.0 113.614 -178.789 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.04 -20.77 23.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.691 0.281 . . . . 0.0 111.179 -179.987 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.473 ' HD3' ' HB3' ' A' ' 42' ' ' HIS . 4.2 mptt -100.93 24.32 9.45 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.726 0.298 . . . . 0.0 110.974 179.881 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 88.5 -17.54 48.12 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.671 -0.776 . . . . 0.0 113.046 179.765 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 43' ' ' PRO . . . -63.72 161.1 36.42 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.532 -179.727 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.403 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -90.35 154.41 19.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.739 0.304 . . . . 0.0 110.913 179.872 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -77.52 -46.94 20.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.796 179.848 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.06 -27.78 34.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.273 179.985 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.52 ' HB3' HD22 ' A' ' 41' ' ' LEU . 3.0 mp -78.85 -52.02 8.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.821 179.91 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 8.8 tpt -58.28 -28.15 64.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.009 179.83 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -71.72 -35.85 70.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.74 179.849 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -64.31 -53.75 43.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.843 HD12 HD12 ' A' ' 13' ' ' LEU . 11.4 tp -52.99 -51.1 62.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.213 -179.956 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -60.15 -33.56 72.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.91 -41.61 42.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.731 179.929 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.587 ' HA ' HD23 ' A' ' 5' ' ' LEU . 3.3 mt -75.82 -26.64 57.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.822 179.942 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.537 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 65.0 t-105 -89.9 -24.66 21.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.129 179.874 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.46 ' HA2' ' NZ ' ' A' ' 63' ' ' LYS . . . -69.16 -64.43 3.0 Favored Glycine 0 C--N 1.335 0.474 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.274 179.522 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.606 ' CG2' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -52.86 -49.59 65.5 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 179.138 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.539 ' N ' ' CG2' ' A' ' 61' ' ' THR . 3.6 t80 -45.33 -51.28 11.3 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 113.46 -1.7 . . . . 0.0 109.401 177.647 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.566 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 0.2 OUTLIER -55.71 -36.92 67.72 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.184 -1.371 . . . . 0.0 111.16 179.704 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 40.1 m -47.76 -38.03 14.64 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 109.165 -0.679 . . . . 0.0 109.165 179.214 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -85.61 -30.74 23.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.926 178.252 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.962 ' HA ' HD23 ' A' ' 69' ' ' LEU . 82.2 t -58.17 -49.18 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.221 -179.927 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -56.09 -37.25 69.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.236 -179.728 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 18.3 p30 -90.0 -13.49 35.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.715 -179.97 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.962 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -64.11 -35.22 80.05 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.866 0.365 . . . . 0.0 110.259 -179.903 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.417 ' HG3' ' HG ' ' A' ' 69' ' ' LEU . 2.2 mtp85 -78.12 0.99 22.66 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.816 -179.99 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.0 mtt -104.22 -26.59 12.46 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.096 -179.923 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -67.66 118.51 11.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.856 0.36 . . . . 0.0 110.623 179.933 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.519 ' C ' HD23 ' A' ' 73' ' ' LEU . 7.9 tt -129.98 -67.35 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.039 -179.854 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 164.86 78.15 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.564 179.924 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 141.19 173.16 13.48 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.477 -179.965 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 51.9 p -117.39 -38.62 3.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.834 0.349 . . . . 0.0 110.984 179.941 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.11 -71.92 0.29 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.447 179.949 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -76.39 125.34 29.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.77 0.319 . . . . 0.0 110.769 179.972 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.833 -179.994 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.858 0.361 . . . . 0.0 111.385 . . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -125.34 -32.2 2.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 179.939 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.79 91.83 7.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.529 179.931 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 29.3 m -131.28 124.62 55.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.82 -179.669 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.832 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.3 OUTLIER -85.44 148.06 26.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.149 179.167 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.4 p -90.43 -177.16 5.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.025 -179.166 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 31.4 ttm105 -57.86 -32.75 67.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.508 179.605 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.413 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . . . -70.66 -33.28 70.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.76 -179.672 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.832 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 19.1 m-20 -85.46 -48.67 8.76 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 121.168 -0.213 . . . . 0.0 111.255 -179.517 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.483 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -60.87 -34.0 73.95 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.49 179.835 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.413 ' HG2' ' HA ' ' A' ' 8' ' ' ALA . 0.2 OUTLIER -68.99 -29.37 67.57 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.074 0.464 . . . . 0.0 109.844 178.939 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -67.98 -33.02 73.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.872 178.96 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.746 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.8 tp -66.68 -35.38 80.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.088 179.2 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.813 HD22 ' O ' ' A' ' 19' ' ' LEU . 14.6 mt -69.58 -37.02 76.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.692 179.774 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.88 -44.11 81.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.519 179.738 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.46 ' O ' ' NE2' ' A' ' 37' ' ' GLN . 10.0 mp -80.46 -16.27 54.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.906 179.481 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.803 ' CD2' HD11 ' A' ' 55' ' ' LEU . 2.6 mm? -89.98 -8.64 51.19 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.284 -0.416 . . . . 0.0 112.063 -179.823 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.47 19.89 2.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.301 0.572 . . . . 0.0 109.963 -178.64 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.83 HD13 ' HA ' ' A' ' 30' ' ' MET . 3.6 tt -111.96 108.96 55.2 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.111 -0.95 . . . . 0.0 109.734 -179.416 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.425 ' O ' HD13 ' A' ' 23' ' ' LEU . 73.9 Cg_exo -49.32 169.92 0.1 OUTLIER 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.608 2.206 . . . . 0.0 113.245 -178.794 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.05 -6.56 55.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.009 179.333 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.95 -35.62 66.99 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.125 0.488 . . . . 0.0 110.695 -179.658 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.731 HD21 ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -101.75 10.53 39.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.057 179.7 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.59 ' HE3' HD21 ' A' ' 14' ' ' LEU . 48.8 t-105 -53.18 114.19 1.38 Allowed 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.388 179.743 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 140.58 -24.78 2.62 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.652 -0.785 . . . . 0.0 113.069 179.611 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -76.21 92.28 3.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.828 0.347 . . . . 0.0 111.316 -179.749 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.724 ' CE1' HG11 ' A' ' 66' ' ' VAL . 22.3 t80 -49.18 -32.44 10.31 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.7 179.982 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.94 -38.13 60.27 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.662 -0.78 . . . . 0.0 113.032 -179.578 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.481 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -82.25 -41.14 20.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.715 0.257 . . . . 0.0 111.629 -179.36 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.83 ' HA ' HD13 ' A' ' 19' ' ' LEU . 8.9 ptp -63.46 -46.76 84.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.678 0.275 . . . . 0.0 110.982 -179.753 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.439 ' HG2' ' HE3' ' A' ' 35' ' ' LYS . 38.1 tt0 -65.9 -36.32 83.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.813 0.34 . . . . 0.0 110.586 179.749 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -59.22 -34.93 72.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.072 0.463 . . . . 0.0 110.282 179.451 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.705 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -76.54 -38.71 54.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.505 179.477 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.482 ' HE2' ' HB3' ' A' ' 59' ' ' TRP . 10.8 t80 -56.74 -44.67 81.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.756 179.944 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.439 ' HE3' ' HG2' ' A' ' 31' ' ' GLN . 5.5 mtmt -73.64 -29.74 62.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.771 179.715 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -71.97 -35.11 69.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.46 ' NE2' ' O ' ' A' ' 16' ' ' LEU . 6.7 mm100 -89.26 -19.56 25.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.203 -179.892 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -76.09 -30.97 58.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.598 179.586 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.406 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 0.2 OUTLIER -69.01 -30.92 69.41 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.473 -179.613 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.2 pp -89.85 -17.59 27.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.707 0.289 . . . . 0.0 111.149 -179.954 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 41' ' ' LEU . 20.6 mt -95.17 -2.62 49.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.161 179.553 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.442 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 11.6 t-80 -75.26 141.86 74.48 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 120.711 0.291 . . . . 0.0 110.949 -179.972 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.442 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 70.9 Cg_exo -47.21 -26.9 5.93 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 122.814 2.343 . . . . 0.0 112.668 179.951 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -79.0 -21.29 47.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.396 -179.803 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 39' ' ' LEU . 1.4 mppt? -113.23 30.66 7.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.898 -179.639 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.89 74.87 0.3 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.663 179.996 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -137.78 158.61 24.69 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.464 -179.992 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.737 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.8 OUTLIER -90.06 148.89 22.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.859 0.361 . . . . 0.0 110.978 -179.98 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -69.39 -49.27 56.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.767 179.868 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.13 -24.82 56.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.305 -179.991 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.737 HD13 ' HB2' ' A' ' 48' ' ' SER . 4.4 mp -76.14 -50.11 15.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.957 -179.895 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.479 ' HE2' ' HA ' ' A' ' 52' ' ' MET . 0.0 OUTLIER -67.12 -27.23 67.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.024 -179.953 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -73.25 -36.16 66.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.932 0.396 . . . . 0.0 110.712 179.779 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -55.51 23.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.057 -179.904 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.803 HD11 ' CD2' ' A' ' 17' ' ' LEU . 9.5 tp -55.57 -40.82 72.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.221 -179.702 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.1 -30.76 71.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.857 179.997 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.76 -41.96 25.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.274 -179.82 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.612 ' HB3' ' HB2' ' A' ' 13' ' ' LEU . 74.8 mt -75.31 -31.33 60.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.905 -179.744 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.613 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 62.1 t-105 -88.94 -21.64 23.47 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.45 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.28 -60.74 3.96 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.054 179.573 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.545 HG21 ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -56.79 -49.97 73.75 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 179.25 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.535 ' N ' ' CG2' ' A' ' 61' ' ' THR . 3.6 t80 -43.82 -50.1 7.96 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 113.434 -1.712 . . . . 0.0 109.486 177.758 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.613 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 0.7 OUTLIER -58.16 -39.12 78.02 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.158 -1.383 . . . . 0.0 111.284 179.571 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.418 ' HB ' ' O ' ' A' ' 61' ' ' THR . 76.7 m -47.39 -37.52 11.46 Favored 'General case' 0 CA--C 1.522 -0.117 0 CA-C-O 121.338 0.589 . . . . 0.0 109.411 179.338 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -85.35 -32.12 22.61 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.636 178.287 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 1.007 ' HA ' HD23 ' A' ' 69' ' ' LEU . 78.9 t -54.03 -40.24 44.85 Favored 'Isoleucine or valine' 0 C--O 1.231 0.115 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.011 179.951 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -62.97 -29.45 70.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.431 179.538 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -90.63 -22.66 21.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.586 -179.833 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 1.007 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -63.57 -37.73 88.42 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.732 0.301 . . . . 0.0 110.678 -179.324 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -78.72 1.11 24.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.09 0.471 . . . . 0.0 111.745 179.932 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.7 mmm -112.55 -48.8 2.99 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.773 179.91 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -59.74 108.62 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 -179.821 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.1 tp -123.51 -58.77 1.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.559 179.696 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.46 -24.66 21.88 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.821 -0.704 . . . . 0.0 113.012 179.804 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.42 -86.9 1.02 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.346 -179.833 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.3 m -69.49 126.13 28.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.802 0.334 . . . . 0.0 110.632 179.821 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -160.02 -67.76 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.47 -179.878 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -85.11 100.32 11.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.983 0.421 . . . . 0.0 110.632 -179.987 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.807 -179.851 . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.687 0.28 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.7 p30 -61.75 132.95 54.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.24 86.93 4.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.649 179.827 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 19.4 m -139.31 123.04 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.067 0.46 . . . . 0.0 111.482 179.816 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.795 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER -86.33 145.25 26.98 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.9 179.402 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.9 p -90.17 -171.05 2.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.744 -179.471 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.408 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 20.8 mtm-85 -57.88 -43.77 86.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.829 179.769 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.11 -49.7 76.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.548 -179.587 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.795 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 9.9 m-20 -63.82 -51.44 64.69 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.198 -0.201 . . . . 0.0 110.804 -179.906 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.436 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -60.44 -33.95 73.27 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 179.214 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 7' ' ' ARG . 9.5 mt-10 -69.01 -31.97 71.17 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.441 -0.578 . . . . 0.0 109.441 178.387 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 44.9 ttt85 -67.98 -37.28 81.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.121 179.312 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.764 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.0 tp -64.4 -30.27 71.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.209 179.224 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.756 HD22 ' O ' ' A' ' 19' ' ' LEU . 11.1 mt -70.16 -39.25 75.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.96 179.725 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -56.32 -50.6 70.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 179.905 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.426 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -72.21 -12.94 61.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.159 179.82 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.764 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.4 mm? -90.33 -10.05 45.52 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -179.524 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.402 ' HD3' ' OE1' ' A' ' 37' ' ' GLN . 1.3 mptt 54.39 19.8 2.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.385 0.612 . . . . 0.0 109.99 -178.539 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.876 HD21 HD21 ' A' ' 23' ' ' LEU . 2.7 tt -112.07 111.41 53.32 Favored Pre-proline 0 N--CA 1.448 -0.569 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.712 -179.109 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.441 ' HB2' HD12 ' A' ' 23' ' ' LEU . 87.1 Cg_exo -42.54 165.9 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.814 2.343 . . . . 0.0 113.376 -178.76 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.412 ' HA ' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -90.2 -8.95 49.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.201 179.822 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.46 -33.87 65.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.371 -179.074 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.876 HD21 HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -97.36 9.75 41.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.541 -179.876 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.468 ' HE3' HD21 ' A' ' 14' ' ' LEU . 52.9 t-105 -52.72 109.49 0.41 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.224 179.567 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 141.8 -26.16 2.38 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.722 179.797 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -78.51 91.64 4.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.771 0.32 . . . . 0.0 111.1 -179.673 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.596 ' CE1' HG11 ' A' ' 66' ' ' VAL . 21.5 t80 -46.83 -29.64 2.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.574 -179.889 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -71.46 -37.56 62.43 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.719 -179.803 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 -79.34 -48.08 14.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.723 0.296 . . . . 0.0 111.555 -179.61 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.775 ' HA ' HD13 ' A' ' 19' ' ' LEU . 11.6 ptp -59.67 -49.74 76.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.136 -179.707 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -60.74 -36.74 79.65 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.774 0.321 . . . . 0.0 110.355 179.727 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.441 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.5 OUTLIER -59.35 -45.77 90.45 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.982 0.42 . . . . 0.0 110.08 179.151 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.705 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -68.11 -47.05 69.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.276 179.245 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.525 ' CE2' ' CD1' ' A' ' 59' ' ' TRP . 10.0 t80 -47.43 -48.89 26.31 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.644 179.759 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.34 -29.22 64.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.641 179.666 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -31.85 69.3 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.743 179.901 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.499 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 13.1 mm100 -85.14 -20.72 29.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.205 179.943 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.416 ' O ' ' HB2' ' A' ' 42' ' ' HIS . 5.0 m -63.81 -29.41 70.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.748 0.308 . . . . 0.0 110.773 179.905 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 mt -61.85 -31.81 72.09 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.624 -179.559 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.503 ' HG ' ' HG ' ' A' ' 41' ' ' LEU . 1.6 pp -87.23 -26.65 23.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.721 0.296 . . . . 0.0 110.68 -179.975 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.503 ' HG ' ' HG ' ' A' ' 40' ' ' LEU . 5.2 mt -95.51 1.82 54.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.075 179.351 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' A' ' 38' ' ' SER . 18.3 t-80 -73.48 133.62 80.18 Favored Pre-proline 0 C--N 1.332 -0.195 0 CA-C-O 120.674 0.273 . . . . 0.0 110.774 -179.859 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -46.22 -24.92 2.73 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.942 2.428 . . . . 0.0 112.881 -179.83 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -71.83 -26.54 62.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.039 -179.842 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 45.9 mmtt -117.4 28.86 8.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.943 0.401 . . . . 0.0 110.489 179.641 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 101.2 -91.5 0.95 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.126 -179.741 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.65 133.79 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.915 179.659 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.24 146.17 24.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.78 0.324 . . . . 0.0 110.647 179.736 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -66.16 -24.59 66.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.156 -179.893 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.68 -49.15 7.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.318 -179.914 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.407 ' HB3' HD22 ' A' ' 41' ' ' LEU . 0.4 OUTLIER -55.17 -50.53 69.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.565 -179.621 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.3 tpt -55.05 -44.34 74.61 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.397 -179.542 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -75.8 -30.98 59.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.959 -179.874 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.16 -51.23 64.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.473 HD11 HD21 ' A' ' 17' ' ' LEU . 9.3 tp -62.51 -41.56 98.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.829 -179.908 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -63.62 -25.28 68.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.046 179.975 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.8 t -79.01 -49.16 13.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.355 -179.731 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.479 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 9.0 mt -69.53 -26.23 64.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.107 -179.736 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.595 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 60.2 t-105 -90.44 -23.43 21.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.352 . . . . 0.0 110.142 179.619 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.07 -64.31 2.71 Favored Glycine 0 C--N 1.335 0.486 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.169 179.635 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.536 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -52.11 -49.51 63.48 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 178.919 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.536 ' N ' ' CG2' ' A' ' 61' ' ' THR . 3.2 t80 -45.45 -51.11 11.97 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 113.431 -1.713 . . . . 0.0 109.354 177.462 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.595 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -54.38 -40.93 68.65 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 114.056 -1.429 . . . . 0.0 111.303 179.743 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 54.1 m -45.81 -39.59 8.6 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.194 0.521 . . . . 0.0 109.736 179.362 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -85.43 -31.82 22.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.727 178.632 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.959 ' HA ' HD23 ' A' ' 69' ' ' LEU . 47.5 t -50.3 -55.17 6.53 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.146 -179.78 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -51.93 -28.84 17.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.963 0.411 . . . . 0.0 110.393 179.5 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -90.83 -22.46 20.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.543 -179.852 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.959 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -68.91 -13.18 62.27 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.84 -179.707 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.509 HH11 ' HA ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -83.47 0.97 44.02 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 121.093 0.473 . . . . 0.0 111.387 179.536 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.1 mtt -120.72 -35.53 3.35 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.606 179.631 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -56.86 154.54 9.18 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.721 179.765 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.1 mp -116.91 -50.11 2.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.995 -179.85 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -125.14 70.68 0.47 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.536 -179.921 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -79.5 -90.34 0.44 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.388 179.872 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 27.1 m -70.99 133.68 46.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.369 . . . . 0.0 110.809 -179.919 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 142.08 -56.21 0.58 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.488 179.986 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.16 112.32 18.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 0.0 110.845 179.915 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.034 -179.968 . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 mmt . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.856 0.36 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.85 122.22 14.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.962 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.81 89.89 2.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.694 179.917 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.8 m -83.02 124.73 39.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.362 0.601 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.78 HD13 ' HB3' ' A' ' 10' ' ' LYS . 0.6 OUTLIER -90.3 140.28 29.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.6 -179.73 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.7 p -87.38 -172.47 3.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.218 179.697 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.599 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 2.0 ttt-85 -58.07 -34.25 69.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.434 -179.645 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.36 -51.02 26.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.718 0.294 . . . . 0.0 111.584 -179.718 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.717 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 13.2 m-20 -61.06 -50.14 74.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.044 -179.668 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.78 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.4 OUTLIER -60.21 -31.94 70.63 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.397 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.596 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 1.4 tt0 -65.68 -35.65 81.36 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 178.396 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.4 tpp180 -69.72 -28.13 65.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.246 179.349 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.58 ' O ' HD23 ' A' ' 17' ' ' LEU . 1.8 tp -67.44 -32.61 73.58 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.076 179.316 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.673 HD21 ' HE3' ' A' ' 24' ' ' TRP . 20.1 mt -75.29 -37.8 60.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.85 -46.36 74.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.963 179.896 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.506 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 11.1 mp -79.54 -13.22 59.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.909 -179.934 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.796 ' O ' ' HB1' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -90.18 -9.03 49.68 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.674 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.63 19.01 3.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.405 0.621 . . . . 0.0 110.072 -178.51 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.853 HD13 ' HA ' ' A' ' 30' ' ' MET . 4.2 tt -112.89 110.09 52.09 Favored Pre-proline 0 N--CA 1.449 -0.483 0 CA-C-N 115.175 -0.921 . . . . 0.0 109.795 -179.363 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.428 ' O ' HD13 ' A' ' 23' ' ' LEU . 88.3 Cg_exo -46.55 169.39 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.994 2.463 . . . . 0.0 113.713 -178.556 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.57 -10.7 42.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.112 179.519 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -36.37 74.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.747 -179.5 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.79 HD21 HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -98.27 10.72 40.0 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.305 -179.894 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.673 ' HE3' HD21 ' A' ' 14' ' ' LEU . 60.6 t-105 -54.87 92.37 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.024 179.35 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 163.86 -27.98 0.22 Allowed Glycine 0 CA--C 1.518 0.252 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.805 179.991 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.42 ' O ' ' HG2' ' A' ' 30' ' ' MET . 12.8 t0 -78.66 101.64 7.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.635 0.255 . . . . 0.0 111.003 -179.841 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.748 ' CE1' HG11 ' A' ' 66' ' ' VAL . 25.5 t80 -54.24 -32.69 56.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.798 -179.599 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.69 -32.77 63.91 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 120.56 -0.829 . . . . 0.0 113.246 -179.212 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.576 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -82.89 -37.12 24.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.702 0.251 . . . . 0.0 111.653 -179.333 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.853 ' HA ' HD13 ' A' ' 19' ' ' LEU . 19.0 ptp -67.89 -44.81 76.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.626 0.25 . . . . 0.0 110.964 -179.773 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -64.31 -41.74 96.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.923 0.392 . . . . 0.0 110.178 179.525 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -56.04 -33.91 65.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.279 179.338 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.796 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -79.54 -45.05 20.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.379 179.439 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.52 ' N ' HD13 ' A' ' 17' ' ' LEU . 10.8 t80 -55.02 -44.69 74.82 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.639 179.558 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.2 mttm -67.58 -37.98 83.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.087 -179.842 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -60.24 -38.28 82.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.023 -179.654 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 31.1 mm-40 -88.71 -21.8 23.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.261 -179.875 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.1 p -66.03 -33.55 76.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.793 0.33 . . . . 0.0 110.559 179.563 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.1 mt -68.59 -42.35 78.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.817 179.9 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.448 HD21 ' HA ' ' A' ' 37' ' ' GLN . 1.2 pp -81.64 -8.5 59.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.26 179.697 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.67 HD22 ' HB3' ' A' ' 51' ' ' LEU . 22.6 mt -95.24 -0.59 52.89 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 120.609 0.242 . . . . 0.0 111.389 179.723 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -86.22 123.27 71.82 Favored Pre-proline 0 CA--C 1.532 0.275 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.768 -179.708 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.409 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 88.7 Cg_exo -42.36 -21.49 0.18 Allowed 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.833 2.355 . . . . 0.0 113.696 -179.928 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.51 -28.24 41.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.828 0.347 . . . . 0.0 111.065 -179.879 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.5 mmtt -103.97 30.22 5.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.807 179.83 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.2 56.24 7.13 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.601 179.928 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 43' ' ' PRO . . . -136.12 162.63 25.06 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.442 179.983 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.856 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -90.41 159.93 16.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.859 0.362 . . . . 0.0 110.815 179.943 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -81.98 -47.6 12.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.644 179.706 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.434 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -58.77 -24.37 61.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.196 179.944 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.856 HD13 ' HB2' ' A' ' 48' ' ' SER . 0.9 OUTLIER -75.4 -50.83 14.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.333 -179.562 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -43.05 97.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.261 -179.569 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.413 ' CG ' ' HA ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -69.01 -30.29 68.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.123 -179.859 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 4.6 tt0 -61.52 -55.88 26.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.614 179.803 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.455 ' HA ' HD12 ' A' ' 55' ' ' LEU . 9.5 tp -56.38 -36.95 69.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.107 179.988 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -61.39 -29.36 69.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.667 179.873 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.2 t -73.54 -37.72 65.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.958 179.973 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.594 ' HA ' HD23 ' A' ' 5' ' ' LEU . 15.1 mt -83.83 -30.61 26.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.009 -179.974 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.656 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 69.1 t-105 -90.0 -17.87 27.05 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.096 -179.931 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.01 -61.82 2.95 Favored Glycine 0 C--N 1.336 0.54 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.923 179.335 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.556 ' CG2' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -56.56 -50.18 72.66 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 179.005 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.542 ' N ' ' CG2' ' A' ' 61' ' ' THR . 4.7 t80 -44.28 -53.06 7.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 113.545 -1.661 . . . . 0.0 109.221 177.9 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.656 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 2.3 ttmt -54.4 -43.52 71.52 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.383 -1.28 . . . . 0.0 111.091 179.182 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 36.4 m -48.67 -36.88 17.02 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 179.141 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -85.38 -30.86 23.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.668 178.275 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.949 ' HA ' HD23 ' A' ' 69' ' ' LEU . 54.5 t -54.06 -44.23 62.08 Favored 'Isoleucine or valine' 0 C--O 1.231 0.121 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -63.27 -29.2 70.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.434 179.798 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 44.3 m-20 -90.59 -19.51 23.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.528 179.939 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.949 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -61.31 -39.04 89.02 Favored 'General case' 0 CA--C 1.527 0.089 0 CA-C-O 120.733 0.302 . . . . 0.0 110.744 -179.29 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.418 ' N ' ' HG ' ' A' ' 69' ' ' LEU . 6.6 mtm180 -85.26 0.98 50.22 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.05 0.452 . . . . 0.0 111.369 179.656 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.6 mmt -117.74 -9.74 10.65 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.684 -179.605 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -101.54 -73.4 0.65 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.864 0.364 . . . . 0.0 111.152 -179.696 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -89.85 36.47 0.86 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.22 -179.958 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -86.95 34.77 3.5 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.582 179.877 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.11 111.73 1.24 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.717 179.873 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.4 p -67.54 153.0 44.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.677 0.275 . . . . 0.0 110.517 179.615 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -135.31 52.96 0.78 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.728 -179.821 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -88.45 112.29 22.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.839 0.352 . . . . 0.0 110.895 179.85 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.789 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.167 0 CA-C-O 121.379 0.609 . . . . 0.0 112.251 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 p -90.19 -172.88 3.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.495 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.9 mtt-85 -58.79 -40.88 85.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 110.661 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.14 -39.22 94.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.709 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.789 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 48.1 m-20 -75.83 -52.94 9.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.748 -0.206 . . . . 0.0 111.221 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.511 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -60.4 -34.51 74.04 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.009 0.433 . . . . 0.0 110.42 179.728 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.467 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 7.4 tp10 -67.72 -34.19 76.36 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.991 179.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.2 tpt180 -65.33 -32.81 74.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.911 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.741 ' O ' HD13 ' A' ' 17' ' ' LEU . 3.1 tp -65.71 -33.86 76.84 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.917 179.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.738 HD22 ' O ' ' A' ' 19' ' ' LEU . 11.4 mt -69.98 -41.37 74.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.318 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.29 -41.35 79.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.087 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.2 mt -79.05 -18.41 53.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.295 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.741 HD13 ' O ' ' A' ' 13' ' ' LEU . 6.9 mp -88.5 -4.33 58.63 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 54.25 19.26 2.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.31 0.576 . . . . 0.0 110.077 -178.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.773 HD13 ' HA ' ' A' ' 30' ' ' MET . 3.5 tt -109.86 110.35 59.12 Favored Pre-proline 0 N--CA 1.45 -0.44 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.939 -179.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.436 ' O ' HD13 ' A' ' 23' ' ' LEU . 81.7 Cg_exo -46.83 167.21 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.694 2.262 . . . . 0.0 113.29 -178.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.43 -3.8 57.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.246 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -79.13 -31.4 44.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.993 0.425 . . . . 0.0 111.121 -179.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.686 HD21 ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -101.43 10.05 40.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.265 179.786 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.565 ' HE3' HD21 ' A' ' 14' ' ' LEU . 36.2 t-105 -55.69 108.31 0.43 Allowed 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.188 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 148.85 -29.71 1.26 Allowed Glycine 0 C--N 1.333 0.362 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.744 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.431 ' O ' ' HG2' ' A' ' 30' ' ' MET . 19.5 t0 -78.74 92.67 4.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.71 0.29 . . . . 0.0 111.179 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.644 ' CE1' HG11 ' A' ' 66' ' ' VAL . 7.7 t80 -43.94 -43.31 6.45 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.686 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.462 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -57.86 -42.54 94.7 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.858 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -71.5 -52.87 16.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.647 0.26 . . . . 0.0 111.672 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.773 ' HA ' HD13 ' A' ' 19' ' ' LEU . 13.9 ptp -56.69 -47.23 80.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.505 -179.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.431 ' NE2' ' CZ ' ' A' ' 27' ' ' PHE . 18.1 tt0 -63.0 -35.92 81.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.895 0.379 . . . . 0.0 110.244 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.462 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.8 OUTLIER -63.91 -37.13 86.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.811 179.03 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.628 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -79.43 -29.31 41.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.053 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.433 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 9.8 t80 -69.04 -41.07 78.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.686 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.14 -52.63 46.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.971 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.495 ' HG2' ' HA ' ' A' ' 33' ' ' ALA . 1.3 pt20 -59.59 -29.76 68.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.723 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.517 ' HG3' ' HA ' ' A' ' 17' ' ' LEU . 95.8 mm-40 -86.62 -23.66 25.62 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.956 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.7 m -77.49 -30.78 53.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.669 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.504 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 5.7 mt -77.77 -24.82 48.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.468 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.567 HD12 ' HG ' ' A' ' 41' ' ' LEU . 4.3 pp -89.98 -18.94 25.09 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.949 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.567 ' HG ' HD12 ' A' ' 40' ' ' LEU . 11.6 mt -94.77 -3.56 48.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.819 0.343 . . . . 0.0 110.782 179.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -66.62 134.65 94.35 Favored Pre-proline 0 N--CA 1.455 -0.184 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.858 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_exo -43.89 -48.81 8.81 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.928 2.419 . . . . 0.0 113.364 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.42 -12.79 55.73 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.749 0.278 . . . . 0.0 111.749 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.504 ' HG3' ' O ' ' A' ' 39' ' ' LEU . 5.8 mmtp -112.5 30.93 6.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.37 . . . . 0.0 111.064 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 62.39 90.29 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.61 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -169.74 165.24 38.64 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.425 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.586 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -88.95 154.07 20.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.897 0.38 . . . . 0.0 110.688 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -82.69 -40.51 20.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.42 ' HA ' ' HG2' ' A' ' 53' ' ' GLN . . . -58.71 -21.1 54.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.39 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.586 HD13 ' HB2' ' A' ' 48' ' ' SER . 2.7 mp -83.95 -51.59 7.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.165 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -31.25 69.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.508 -179.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.42 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 1.4 pt20 -77.15 -32.71 56.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.867 0.365 . . . . 0.0 111.142 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.523 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -72.53 -36.8 68.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.938 0.399 . . . . 0.0 110.348 179.585 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.635 HD11 HD11 ' A' ' 17' ' ' LEU . 6.1 tp -71.08 -43.25 68.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.533 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -60.84 -31.13 70.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.705 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.5 p -81.55 -45.22 16.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.798 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.523 HD12 ' O ' ' A' ' 54' ' ' GLU . 2.8 mt -65.13 -27.74 68.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.567 ' HB2' HD11 ' A' ' 13' ' ' LEU . 61.9 t-105 -90.63 -27.12 19.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.183 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.403 ' HA2' ' NZ ' ' A' ' 63' ' ' LYS . . . -68.9 -63.89 3.28 Favored Glycine 0 C--N 1.333 0.401 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.148 179.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.535 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -51.9 -49.49 62.92 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 179.084 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.535 ' N ' ' CG2' ' A' ' 61' ' ' THR . 3.1 t80 -44.03 -52.16 7.28 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 113.418 -1.719 . . . . 0.0 109.138 177.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.582 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 0.3 OUTLIER -58.68 -37.76 76.75 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.003 -1.453 . . . . 0.0 110.841 179.397 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.481 ' HB ' ' O ' ' A' ' 61' ' ' THR . 54.7 m -49.06 -37.81 22.17 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 109.487 -0.561 . . . . 0.0 109.487 179.083 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -85.12 -30.92 23.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.504 178.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.644 HG11 ' CE1' ' A' ' 27' ' ' PHE . 74.1 t . . . . . 0 N--CA 1.455 -0.183 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.717 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.835 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.115 0.483 . . . . 0.0 111.558 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.6 p -90.33 -170.32 2.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.933 -178.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.454 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -62.49 -29.43 70.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.899 179.645 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.417 ' N ' ' HG2' ' A' ' 7' ' ' ARG . . . -76.54 -32.64 58.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.282 -179.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.835 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 2.9 m-20 -89.77 -47.0 8.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.816 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.684 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -59.91 -28.46 67.6 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.839 0.352 . . . . 0.0 110.756 179.717 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 12' ' ' ARG . 3.2 pt-20 -69.76 -31.4 69.34 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.447 ' N ' ' HG3' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -60.75 -39.42 88.63 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.528 178.887 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.796 ' O ' HD23 ' A' ' 17' ' ' LEU . 4.9 tp -65.12 -35.56 81.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.009 179.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.929 HD22 ' O ' ' A' ' 19' ' ' LEU . 10.6 mt -66.87 -40.78 87.95 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.982 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -56.03 -52.67 63.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.5 mt -72.36 -12.45 61.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.994 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.796 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.4 mm? -90.45 -10.45 43.68 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 mptt 52.8 20.32 1.56 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.201 0.524 . . . . 0.0 110.263 -178.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.929 ' O ' HD22 ' A' ' 14' ' ' LEU . 4.9 tt -109.93 112.14 58.13 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.999 -179.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.431 ' HB2' HD12 ' A' ' 23' ' ' LEU . 82.8 Cg_exo -46.06 167.03 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.701 2.267 . . . . 0.0 113.396 -178.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.422 ' HG2' HD13 ' A' ' 14' ' ' LEU . 7.2 mtt180 -90.25 -2.51 58.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.313 179.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.72 -24.55 31.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.733 -178.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.819 ' CD2' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -108.79 10.47 26.65 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.823 179.308 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.546 ' HE3' HD21 ' A' ' 14' ' ' LEU . 44.1 t-105 -56.05 97.58 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.847 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 160.08 -28.88 0.35 Allowed Glycine 0 CA--C 1.517 0.21 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.212 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.42 ' HB3' ' HB2' ' A' ' 29' ' ' ARG . 22.3 t0 -76.53 93.58 3.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.887 0.375 . . . . 0.0 110.91 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.541 ' CE1' HG11 ' A' ' 66' ' ' VAL . 16.5 t80 -46.59 -40.5 12.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.866 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.71 -33.7 87.94 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.826 -0.702 . . . . 0.0 113.476 -179.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.618 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -81.65 -43.74 18.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.82 0.31 . . . . 0.0 111.44 -179.385 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.695 ' HA ' HD13 ' A' ' 19' ' ' LEU . 12.9 ptp -61.39 -47.92 83.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.207 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -66.29 -35.25 79.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.738 0.304 . . . . 0.0 110.58 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.65 -44.04 89.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.04 0.448 . . . . 0.0 110.244 179.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.574 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -70.22 -40.38 74.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.891 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.449 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 6.7 t80 -53.24 -48.43 68.22 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.684 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.421 ' HA ' ' OG ' ' A' ' 38' ' ' SER . 4.5 mttp -67.32 -31.61 72.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.081 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -70.28 -38.13 74.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.023 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.746 ' OE1' HD11 ' A' ' 40' ' ' LEU . 1.4 mm-40 -90.2 -23.49 21.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.442 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.421 ' OG ' ' HA ' ' A' ' 35' ' ' LYS . 84.3 p -72.68 -30.88 64.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.845 0.355 . . . . 0.0 110.515 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.412 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 1.0 OUTLIER -73.24 -30.71 63.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.349 -179.643 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.746 HD11 ' OE1' ' A' ' 37' ' ' GLN . 4.6 pp -83.82 -21.16 32.18 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.707 0.289 . . . . 0.0 110.965 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.738 HD22 ' HB3' ' A' ' 51' ' ' LEU . 2.3 mt -95.37 16.57 16.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.802 0.334 . . . . 0.0 110.791 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -85.83 134.65 39.02 Favored Pre-proline 0 N--CA 1.453 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.457 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -43.52 -37.56 7.98 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.708 2.272 . . . . 0.0 112.8 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -64.7 -16.38 62.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.688 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' A' ' 39' ' ' LEU . 35.2 mmtt -111.81 31.04 6.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.787 0.327 . . . . 0.0 111.074 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.65 66.87 2.5 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.595 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -137.66 171.0 23.45 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.367 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.73 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -90.02 151.6 21.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.826 0.346 . . . . 0.0 110.837 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -79.57 -45.17 19.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.425 ' HA ' ' CG ' ' A' ' 53' ' ' GLN . . . -58.68 -24.26 60.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.406 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.738 ' HB3' HD22 ' A' ' 41' ' ' LEU . 4.1 mp -74.08 -59.8 2.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.193 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 10.4 tpt -55.17 -44.12 74.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.365 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.425 ' CG ' ' HA ' ' A' ' 50' ' ' ALA . 1.3 pp0? -67.01 -29.89 69.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.045 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.7 -39.25 93.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.842 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.593 HD12 HD12 ' A' ' 13' ' ' LEU . 16.5 tp -69.18 -34.7 75.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.727 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -65.34 -30.23 71.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.076 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.25 -30.83 66.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.64 HD22 ' O ' ' A' ' 9' ' ' ASP . 2.3 mt -89.57 -29.32 18.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.05 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.593 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 66.0 t-105 -88.91 -21.41 23.63 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.23 -60.23 3.63 Favored Glycine 0 C--N 1.334 0.428 0 C-N-CA 121.019 -0.61 . . . . 0.0 111.989 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.609 ' CG2' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -55.05 -49.2 72.18 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 106.829 -1.545 . . . . 0.0 106.829 179.239 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.66 ' O ' ' HG3' ' A' ' 65' ' ' GLU . 5.5 t80 -46.85 -55.25 8.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 113.159 -1.837 . . . . 0.0 109.647 177.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.594 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 1.0 OUTLIER -49.22 -37.95 24.73 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.374 179.682 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.435 ' HB ' ' O ' ' A' ' 61' ' ' THR . 85.4 m -54.46 -43.02 71.31 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 178.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.66 ' HG3' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -84.75 -20.63 30.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.31 178.627 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.594 ' HB ' ' HA ' ' A' ' 63' ' ' LYS . 23.2 t . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 121.014 0.435 . . . . 0.0 110.825 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.799 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 121.338 0.589 . . . . 0.0 112.03 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.0 p -90.77 -167.97 1.96 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.673 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.432 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -62.32 -38.63 90.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.94 179.809 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.97 -48.28 74.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.316 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.799 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 5.8 m-20 -64.32 -55.14 23.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.684 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.479 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -57.93 -32.0 67.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.919 0.39 . . . . 0.0 110.171 179.644 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 13.0 tt0 -69.38 -35.44 75.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.806 178.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -65.68 -36.18 82.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.796 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.654 ' O ' HD23 ' A' ' 17' ' ' LEU . 1.8 tp -64.07 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.006 179.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.693 HD22 ' O ' ' A' ' 19' ' ' LEU . 12.5 mt -69.9 -42.46 73.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.352 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.93 -46.54 74.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.6 -13.55 60.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.852 179.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.694 ' O ' ' HB1' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -89.93 -7.73 53.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.82 -179.787 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.55 19.44 3.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.399 0.619 . . . . 0.0 109.656 -178.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.929 HD13 ' HA ' ' A' ' 30' ' ' MET . 6.0 tt -113.23 110.96 50.43 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.856 -179.115 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.464 ' O ' HD13 ' A' ' 23' ' ' LEU . 73.9 Cg_exo -50.08 166.83 0.25 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.645 2.23 . . . . 0.0 113.214 -178.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.78 -3.29 58.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.394 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -79.03 -32.67 45.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.075 0.464 . . . . 0.0 111.149 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.669 HD22 ' C ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -102.75 10.92 38.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.201 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.639 ' HE3' HD21 ' A' ' 14' ' ' LEU . 25.0 t-105 -55.01 105.81 0.18 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.98 0.419 . . . . 0.0 110.858 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 151.6 -27.22 0.95 Allowed Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.444 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -80.42 94.01 6.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.516 0.198 . . . . 0.0 111.026 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.551 ' CE1' HG11 ' A' ' 66' ' ' VAL . 19.8 t80 -47.48 -41.73 21.31 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.883 0.373 . . . . 0.0 111.377 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.478 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -60.01 -33.23 78.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.542 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.29 -49.37 10.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.645 0.259 . . . . 0.0 111.395 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.929 ' HA ' HD13 ' A' ' 19' ' ' LEU . 15.1 ptp -61.77 -49.12 77.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.524 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -62.94 -39.65 95.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.786 0.327 . . . . 0.0 110.259 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.478 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.5 OUTLIER -61.31 -32.41 72.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.903 179.213 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.694 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -81.28 -43.19 19.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.293 179.283 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.533 ' HB2' HD11 ' A' ' 17' ' ' LEU . 17.1 t80 -53.38 -48.78 68.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.79 179.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.48 -32.47 70.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.771 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.02 -41.83 98.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.708 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.435 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 77.5 mm-40 -86.25 -18.38 32.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.101 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.4 m -72.18 -38.34 69.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.435 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.42 ' O ' ' HD3' ' A' ' 45' ' ' LYS . 4.3 mt -62.73 -33.05 74.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.158 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 4.1 pp -87.92 -15.89 35.38 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.919 -0.313 . . . . 0.0 110.879 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 45.0 mt -95.34 7.94 44.67 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 120.7 0.286 . . . . 0.0 111.026 178.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.458 ' ND1' ' HD2' ' A' ' 43' ' ' PRO . 16.1 t60 -87.27 133.62 38.24 Favored Pre-proline 0 N--CA 1.455 -0.209 0 CA-C-O 120.711 0.291 . . . . 0.0 110.992 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.458 ' HD2' ' ND1' ' A' ' 42' ' ' HIS . 81.2 Cg_exo -46.14 -30.56 7.73 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.087 2.525 . . . . 0.0 112.837 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -70.01 -11.9 61.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.285 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.471 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 2.5 mptp? -123.56 29.71 6.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.909 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.3 67.04 2.2 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.604 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -137.12 169.15 24.09 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.521 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.732 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -90.02 145.21 25.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.788 0.328 . . . . 0.0 110.911 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.413 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 1.1 t60 -76.6 -46.66 25.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.711 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.38 -32.67 64.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.354 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.732 HD13 ' HB2' ' A' ' 48' ' ' SER . 0.7 OUTLIER -66.97 -49.41 65.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.02 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -27.23 68.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.233 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 4.3 mm-40 -78.57 -40.89 33.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.653 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -63.68 -45.21 91.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.713 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.513 HD12 HD12 ' A' ' 13' ' ' LEU . 13.4 tp -58.84 -47.28 85.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.08 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -57.21 -27.7 62.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.046 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.0 m -71.13 -43.88 66.7 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.041 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.529 HD23 HD23 ' A' ' 5' ' ' LEU . 9.7 mt -75.95 -28.83 58.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.775 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.587 ' HB2' HD11 ' A' ' 13' ' ' LEU . 68.9 t-105 -89.44 -18.05 27.53 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.425 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.1 -63.06 2.47 Favored Glycine 0 C--N 1.334 0.431 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.885 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.539 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -55.3 -49.94 70.84 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 178.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.539 ' N ' ' CG2' ' A' ' 61' ' ' THR . 4.0 t80 -44.16 -49.5 9.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 113.517 -1.674 . . . . 0.0 109.467 178.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.583 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 2.8 ttmt -57.38 -39.72 76.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.308 -1.315 . . . . 0.0 111.495 179.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 61' ' ' THR . 95.6 m -49.22 -38.18 25.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.333 0.587 . . . . 0.0 109.476 179.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -84.35 -30.22 25.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.463 178.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.569 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 50.7 t . . . . . 0 N--CA 1.455 -0.214 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.015 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.784 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER . . . . . 0 N--CA 1.46 0.033 0 CA-C-O 121.135 0.493 . . . . 0.0 111.585 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 p -85.73 179.37 7.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.058 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 43.4 ttm-85 -50.83 -39.14 52.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.24 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.29 -48.9 68.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.601 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.784 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 5.5 m-20 -63.19 -57.09 11.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.034 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.687 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -55.65 -33.43 64.05 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.008 0.433 . . . . 0.0 110.034 179.605 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.415 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 10.8 tt0 -69.6 -33.92 73.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.317 178.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.556 ' O ' HD12 ' A' ' 16' ' ' LEU . 40.5 ttt85 -66.1 -37.31 85.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.726 178.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.598 HD12 HD12 ' A' ' 55' ' ' LEU . 1.8 tp -60.18 -36.77 78.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.945 179.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.899 HD12 ' HG3' ' A' ' 21' ' ' ARG . 10.5 mt -68.0 -37.03 80.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.662 179.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.3 -38.53 68.77 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.961 0.41 . . . . 0.0 110.419 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.556 HD12 ' O ' ' A' ' 12' ' ' ARG . 1.4 mp -84.38 -19.02 34.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.745 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.677 ' CD2' HD11 ' A' ' 55' ' ' LEU . 1.2 mm? -89.22 -6.42 56.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.93 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 mptt 56.03 19.2 3.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.366 0.603 . . . . 0.0 109.818 -178.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.773 HD13 ' HA ' ' A' ' 30' ' ' MET . 4.6 tt -112.1 107.27 55.94 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.136 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.448 ' O ' HD13 ' A' ' 23' ' ' LEU . 64.3 Cg_exo -51.89 168.34 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.881 2.387 . . . . 0.0 113.766 -178.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.899 ' HG3' HD12 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -84.96 -6.24 59.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.132 179.388 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -76.61 -31.79 57.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.464 -178.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.698 HD21 ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -107.96 12.98 26.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.167 179.846 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.541 ' HE3' HD11 ' A' ' 14' ' ' LEU . 30.8 t-105 -55.38 106.21 0.22 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.117 179.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 150.04 -24.32 1.14 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.692 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -78.84 85.08 4.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.761 0.315 . . . . 0.0 110.972 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.661 ' CE1' HG11 ' A' ' 66' ' ' VAL . 14.2 t80 -44.57 -40.12 5.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.963 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.06 -40.41 97.04 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.787 -0.72 . . . . 0.0 113.209 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.23 -50.65 12.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.683 0.241 . . . . 0.0 111.586 -179.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.773 ' HA ' HD13 ' A' ' 19' ' ' LEU . 15.4 ptp -57.69 -45.42 85.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.595 0.236 . . . . 0.0 111.099 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -62.61 -38.9 92.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.962 0.41 . . . . 0.0 109.947 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -63.25 -33.19 74.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.776 179.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.435 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -80.3 -41.0 25.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.371 179.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.491 ' HB2' HD11 ' A' ' 17' ' ' LEU . 11.9 t80 -54.32 -42.86 70.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.984 0.421 . . . . 0.0 110.371 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.414 ' HA ' ' HB2' ' A' ' 38' ' ' SER . 0.7 OUTLIER -76.33 -37.55 57.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.53 179.783 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -60.62 -37.69 82.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.344 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.548 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 17.5 mm100 -87.37 -20.96 25.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.941 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.414 ' HB2' ' HA ' ' A' ' 35' ' ' LYS . 1.5 m -66.69 -27.15 67.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.851 0.358 . . . . 0.0 110.582 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.03 -31.39 62.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.209 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 4.4 pp -89.43 -15.21 33.7 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.101 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.695 HD22 ' HB3' ' A' ' 51' ' ' LEU . 87.9 mt -92.24 5.47 50.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.627 0.251 . . . . 0.0 111.269 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.476 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 4.0 t60 -87.8 135.93 33.24 Favored Pre-proline 0 C--N 1.331 -0.198 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.476 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 15.4 Cg_endo -58.03 -2.92 0.95 Allowed 'Trans proline' 0 CA--C 1.532 0.403 0 C-N-CA 122.79 2.326 . . . . 0.0 113.436 -179.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.01 -25.39 20.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.723 0.297 . . . . 0.0 110.944 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -105.59 30.91 5.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.722 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.06 32.81 85.41 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.556 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -95.51 174.84 32.47 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.576 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.689 ' HB2' HD13 ' A' ' 51' ' ' LEU . 2.0 m -90.05 149.03 22.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.746 0.308 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 35.3 t-80 -83.23 -39.25 21.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.475 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -66.17 -27.51 68.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.419 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.695 ' HB3' HD22 ' A' ' 41' ' ' LEU . 0.5 OUTLIER -73.56 -51.28 17.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.735 0.302 . . . . 0.0 111.115 -179.851 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.12 -48.0 68.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.459 -179.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -69.08 -31.12 69.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.215 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.475 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 16.1 tt0 -63.86 -50.86 67.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.775 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.677 HD11 ' CD2' ' A' ' 17' ' ' LEU . 9.9 tp -56.44 -37.8 70.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.079 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -65.91 -29.83 70.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.8 t -78.69 -35.84 44.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.143 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.565 ' HB3' HD13 ' A' ' 13' ' ' LEU . 1.4 mt -83.89 -30.96 25.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.118 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.649 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 73.5 t-105 -85.3 -15.7 42.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.542 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.88 -65.21 2.0 Allowed Glycine 0 C--N 1.333 0.398 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.401 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.539 ' CG2' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -55.15 -49.52 71.61 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 179.451 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.523 ' N ' ' CG2' ' A' ' 61' ' ' THR . 3.0 t80 -44.16 -53.14 6.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 113.564 -1.653 . . . . 0.0 109.488 178.101 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.649 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 2.4 ttmt -53.71 -41.78 67.33 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.265 -1.334 . . . . 0.0 111.142 179.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 28.2 m -48.3 -37.11 15.59 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.54 -31.25 22.81 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.635 178.22 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.661 HG11 ' CE1' ' A' ' 27' ' ' PHE . 89.1 t . . . . . 0 N--CA 1.456 -0.142 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.196 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.7 ' HB2' ' HB3' ' A' ' 9' ' ' ASP . 1.4 pt? . . . . . 0 N--CA 1.454 -0.24 0 CA-C-O 121.13 0.49 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.8 p -64.12 179.11 0.58 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.643 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.408 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 1.6 ttt180 -59.24 -33.47 71.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.28 -29.68 64.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.629 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.7 ' HB3' ' HB2' ' A' ' 5' ' ' LEU . 8.8 m-20 -69.23 -57.98 4.64 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.56 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.527 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -50.0 -42.09 48.4 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.811 0.339 . . . . 0.0 110.448 179.756 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 7' ' ' ARG . 53.1 mt-10 -67.74 -35.43 78.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.138 179.062 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.67 -38.84 67.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.859 179.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.556 ' O ' HD13 ' A' ' 17' ' ' LEU . 1.6 tp -61.05 -27.5 68.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.87 178.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.694 HD21 ' HE3' ' A' ' 24' ' ' TRP . 12.3 mt -75.33 -51.71 12.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.849 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -52.12 -24.71 7.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.181 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.467 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 3.5 mt -89.0 -30.74 18.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.24 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.691 HD11 HD11 ' A' ' 55' ' ' LEU . 7.3 mp -82.16 1.92 33.98 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.3 mttt 53.94 19.66 2.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.368 0.604 . . . . 0.0 110.062 -178.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.74 HD13 ' HA ' ' A' ' 30' ' ' MET . 5.5 tt -109.36 111.21 59.93 Favored Pre-proline 0 N--CA 1.451 -0.425 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.951 -179.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.438 ' O ' HD13 ' A' ' 23' ' ' LEU . 73.0 Cg_exo -49.6 168.83 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.873 2.382 . . . . 0.0 113.736 -178.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.33 -3.09 57.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.233 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -79.57 -29.24 41.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.082 0.468 . . . . 0.0 110.896 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.728 ' O ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -107.72 14.85 25.17 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.952 179.898 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.694 ' HE3' HD21 ' A' ' 14' ' ' LEU . 35.9 t-105 -58.24 89.04 0.01 OUTLIER 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.037 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 166.18 -29.5 0.19 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.749 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -76.72 88.65 3.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.902 0.382 . . . . 0.0 111.097 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.767 ' CD1' HG11 ' A' ' 66' ' ' VAL . 4.7 t80 -46.09 -38.44 8.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.926 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.51 -34.89 90.81 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.834 -0.698 . . . . 0.0 113.042 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -79.83 -42.83 23.53 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 122.789 -0.242 . . . . 0.0 111.489 -179.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.74 ' HA ' HD13 ' A' ' 19' ' ' LEU . 10.7 ptp -69.59 -39.19 77.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.616 0.246 . . . . 0.0 111.198 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -64.24 -37.83 88.87 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -63.71 -40.38 96.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.987 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.7 -32.51 62.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.414 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.508 ' CE2' ' CG ' ' A' ' 59' ' ' TRP . 11.8 t80 -65.89 -40.87 91.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.484 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.45 -38.52 91.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.81 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -74.45 -48.25 28.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.477 ' HG2' ' HA ' ' A' ' 17' ' ' LEU . 3.3 mp0 -60.13 -27.48 67.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.94 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.1 m -70.88 -30.4 66.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.533 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.469 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 9.9 mt -70.15 -31.82 69.5 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.795 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.456 HD12 ' N ' ' A' ' 41' ' ' LEU . 3.9 pp -88.76 -17.61 29.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.998 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.456 ' N ' HD12 ' A' ' 40' ' ' LEU . 3.3 mt -95.6 -1.43 50.36 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.364 179.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -75.93 121.07 84.32 Favored Pre-proline 0 CA--C 1.529 0.172 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.096 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -42.64 -26.01 0.57 Allowed 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.811 2.34 . . . . 0.0 113.151 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.53 -11.86 54.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.526 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 39' ' ' LEU . 30.1 mmtt -117.51 31.04 6.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.795 0.331 . . . . 0.0 110.902 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.66 21.59 79.52 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.6 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -91.73 170.18 33.34 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.419 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.744 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -90.21 155.43 19.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.864 0.364 . . . . 0.0 110.909 -179.88 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -83.23 -50.96 7.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.79 -24.76 37.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.307 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.744 HD13 ' HB2' ' A' ' 48' ' ' SER . 0.8 OUTLIER -77.46 -49.88 13.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.906 0.384 . . . . 0.0 111.272 -179.76 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 7.8 tpt -61.31 -52.02 66.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.366 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -61.49 -31.47 71.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.908 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.437 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -63.09 -48.91 76.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.104 0.478 . . . . 0.0 110.391 179.602 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.691 HD11 HD11 ' A' ' 17' ' ' LEU . 3.1 tp -66.79 -37.27 84.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.03 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -62.27 -43.3 99.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.71 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.9 m -74.01 -30.58 62.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.794 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.538 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 1.4 mt -79.77 -22.53 43.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.916 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.565 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 64.4 t-105 -89.13 -17.57 28.95 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.106 179.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.452 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -81.11 -58.07 2.69 Favored Glycine 0 C--N 1.334 0.422 0 C-N-CA 120.875 -0.679 . . . . 0.0 111.807 178.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.516 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -57.56 -48.58 78.94 Favored 'General case' 0 CA--C 1.515 -0.394 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 178.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.516 ' N ' ' CG2' ' A' ' 61' ' ' THR . 2.8 t80 -46.35 -57.47 4.59 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 113.695 -1.593 . . . . 0.0 109.412 177.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.565 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 3.2 ttmt -48.05 -46.06 32.94 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.298 -1.319 . . . . 0.0 111.413 179.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 92.1 m -50.75 -35.28 30.81 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.9 -30.94 23.98 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.187 178.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.767 HG11 ' CD1' ' A' ' 27' ' ' PHE . 77.8 t . . . . . 0 N--CA 1.454 -0.239 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.343 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.792 HD13 ' HB3' ' A' ' 10' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.95 0.405 . . . . 0.0 111.709 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.7 p -83.39 -171.3 3.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.295 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.436 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . 2.5 ptm180 -60.23 -36.68 78.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.641 0.257 . . . . 0.0 111.333 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.3 -48.35 61.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.777 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.747 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 4.9 m-20 -63.15 -47.65 81.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.289 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.792 ' HB3' HD13 ' A' ' 5' ' ' LEU . 9.3 pttp -59.93 -33.23 71.62 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.068 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.425 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 1.1 mt-10 -68.73 -36.19 78.1 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.581 178.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -64.52 -31.16 72.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.229 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.754 ' O ' HD23 ' A' ' 17' ' ' LEU . 3.6 tp -63.76 -41.66 97.94 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 121.2 0.524 . . . . 0.0 109.713 179.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.645 HD21 ' HE3' ' A' ' 24' ' ' TRP . 14.9 mt -62.72 -40.8 98.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.283 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -52.1 -53.26 44.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.872 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.489 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 0.6 OUTLIER -74.96 -11.23 60.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.614 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.754 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.3 mm? -90.47 -8.96 49.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.87 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 54.05 20.08 2.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.248 0.547 . . . . 0.0 110.103 -178.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.826 HD13 ' HA ' ' A' ' 30' ' ' MET . 4.1 tt -110.04 109.95 58.88 Favored Pre-proline 0 N--CA 1.451 -0.423 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.017 -179.224 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -49.41 170.73 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.033 2.489 . . . . 0.0 114.128 -178.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.526 ' HG2' ' CD1' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -90.13 -3.41 57.91 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.502 179.73 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -82.88 -26.67 31.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.883 0.373 . . . . 0.0 111.284 -178.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.761 ' CD2' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -109.89 12.21 23.94 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.458 -179.791 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.645 ' HE3' HD21 ' A' ' 14' ' ' LEU . 54.8 t-105 -52.31 101.15 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.989 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.75 -26.46 0.83 Allowed Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.782 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.425 ' O ' ' HG2' ' A' ' 30' ' ' MET . 15.0 t70 -76.69 91.73 3.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.668 0.271 . . . . 0.0 111.156 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.846 ' CD1' HG11 ' A' ' 66' ' ' VAL . 20.7 t80 -49.6 -34.58 18.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.796 -179.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.9 -36.9 91.75 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.828 -0.701 . . . . 0.0 113.487 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.73 -34.31 30.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.92 0.36 . . . . 0.0 111.867 -179.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.826 ' HA ' HD13 ' A' ' 19' ' ' LEU . 17.5 ptp -71.68 -45.98 60.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.551 0.215 . . . . 0.0 111.011 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -64.89 -37.76 88.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.944 0.402 . . . . 0.0 109.933 179.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.481 ' O ' ' HB2' ' A' ' 36' ' ' GLN . 2.5 mt-30 -61.85 -28.51 69.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.939 179.072 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.598 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -85.91 -43.66 13.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.616 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.486 ' CD2' ' CG ' ' A' ' 59' ' ' TRP . 9.1 t80 -51.62 -42.43 61.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.609 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.42 -39.14 47.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.733 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.481 ' HB2' ' O ' ' A' ' 32' ' ' GLN . 0.1 OUTLIER -61.5 -42.75 99.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.434 179.707 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 2.3 mp0 -81.12 -21.34 39.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.723 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.6 m -62.73 -26.24 68.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.921 0.391 . . . . 0.0 110.383 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 23.6 mt -70.44 -46.89 62.97 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.55 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.0 pp -68.94 -20.02 64.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.703 0.287 . . . . 0.0 110.859 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.401 HD22 HD22 ' A' ' 51' ' ' LEU . 61.1 mt -95.57 7.33 46.55 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.338 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.415 ' ND1' ' HD2' ' A' ' 43' ' ' PRO . 51.0 t-80 -89.98 136.72 28.7 Favored Pre-proline 0 CA--C 1.531 0.232 0 CA-C-O 120.689 0.281 . . . . 0.0 110.425 179.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.415 ' HD2' ' ND1' ' A' ' 42' ' ' HIS . 73.5 Cg_exo -47.89 -12.91 0.17 Allowed 'Trans proline' 0 CA--C 1.533 0.429 0 C-N-CA 123.042 2.495 . . . . 0.0 113.904 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.84 -23.3 22.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.786 0.327 . . . . 0.0 111.012 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.5 mptt -115.63 29.22 8.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.776 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.2 62.97 3.84 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.438 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -124.49 153.78 17.77 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.799 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.679 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -90.24 157.2 17.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.748 0.308 . . . . 0.0 111.008 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -79.26 -51.31 9.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.54 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.9 -25.39 7.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.504 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.679 HD13 ' HB2' ' A' ' 48' ' ' SER . 2.5 mp -78.79 -51.95 9.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -30.07 69.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.004 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -77.09 -45.61 26.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.615 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.33 -41.64 93.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.578 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.461 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 7.5 tp -60.76 -51.45 69.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.389 179.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -57.02 -31.09 64.78 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.177 179.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 m -74.87 -49.72 19.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.131 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.502 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 5.0 mt -73.9 -25.66 60.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.404 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.563 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 60.0 t-105 -89.93 -17.68 27.51 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.425 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -77.94 -61.9 2.45 Favored Glycine 0 C--N 1.336 0.546 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.088 179.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.542 ' CG2' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -55.34 -50.07 70.59 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 179.194 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.538 ' N ' ' CG2' ' A' ' 61' ' ' THR . 7.0 t80 -43.82 -54.45 5.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 113.391 -1.732 . . . . 0.0 109.458 177.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.563 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 3.0 ttmt -51.15 -42.68 60.93 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.359 -1.291 . . . . 0.0 111.036 179.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 61' ' ' THR . 63.2 m -50.65 -35.79 32.39 Favored 'General case' 0 CA--C 1.521 -0.173 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -85.37 -29.0 24.8 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.59 178.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.846 HG11 ' CD1' ' A' ' 27' ' ' PHE . 71.9 t . . . . . 0 N--CA 1.453 -0.29 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.33 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.797 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.0 pt? . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.929 0.395 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.5 p -88.19 -171.11 3.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.263 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.422 ' HG2' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -62.41 -32.9 73.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.778 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.422 ' N ' ' HG2' ' A' ' 7' ' ' ARG . . . -68.98 -33.86 74.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.312 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.797 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 3.3 m-20 -69.47 -56.94 5.96 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.109 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.5 ' HD3' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -60.09 -45.3 93.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.48 -179.398 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.5 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -63.63 -29.94 71.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.776 0.322 . . . . 0.0 110.941 -179.783 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.657 HH21 HD21 ' A' ' 16' ' ' LEU . 6.4 tpt180 -78.8 -34.43 45.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.04 0.448 . . . . 0.0 110.026 179.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.632 HD12 HD12 ' A' ' 55' ' ' LEU . 1.9 tp -66.2 -32.59 74.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.945 179.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.893 HD22 ' O ' ' A' ' 19' ' ' LEU . 12.8 mt -69.57 -35.32 75.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.53 179.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -58.34 -46.24 86.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.445 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.657 HD21 HH21 ' A' ' 12' ' ' ARG . 22.5 mt -76.23 -16.3 59.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.816 179.284 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.774 ' CD2' HD11 ' A' ' 55' ' ' LEU . 1.1 mm? -90.17 -9.94 46.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.587 -179.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.29 22.38 1.37 Allowed 'General case' 0 C--O 1.231 0.098 0 CA-C-O 121.37 0.605 . . . . 0.0 109.955 -178.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.893 ' O ' HD22 ' A' ' 14' ' ' LEU . 3.9 tt -112.78 111.7 51.19 Favored Pre-proline 0 N--CA 1.449 -0.496 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.776 -178.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.426 ' O ' HD13 ' A' ' 23' ' ' LEU . 80.5 Cg_exo -45.41 166.55 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.71 2.273 . . . . 0.0 113.432 -178.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.476 ' HG2' HD12 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -89.02 -3.15 58.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.169 179.591 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.77 -31.3 46.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.031 0.443 . . . . 0.0 111.012 -179.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.797 ' O ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -106.91 19.49 20.39 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.659 179.829 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.609 ' HE3' HD21 ' A' ' 14' ' ' LEU . 66.3 t-105 -55.2 -17.55 4.55 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.655 179.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.33 -19.8 68.32 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.715 -0.755 . . . . 0.0 113.198 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -83.72 126.21 32.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.878 0.371 . . . . 0.0 111.021 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.605 ' CE1' HG11 ' A' ' 66' ' ' VAL . 27.1 t80 -82.52 -40.31 21.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.042 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.01 -28.92 73.51 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.756 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.542 ' HB3' HD11 ' A' ' 19' ' ' LEU . 32.5 mmt180 -74.94 -50.2 17.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.89 0.376 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.854 ' HA ' HD13 ' A' ' 19' ' ' LEU . 12.5 ptp -59.23 -48.23 82.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.101 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -60.04 -36.08 76.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.839 0.352 . . . . 0.0 110.809 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -60.53 -42.44 96.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.509 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.54 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -77.49 -39.95 44.59 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.677 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.452 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 9.6 t80 -49.47 -46.74 48.44 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.864 0.364 . . . . 0.0 110.617 179.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -75.57 -30.21 59.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.814 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.13 -30.94 63.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.669 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.506 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 43.4 mm-40 -90.03 -19.46 24.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.092 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.5 p -69.61 -27.59 65.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.652 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.409 ' O ' ' HE3' ' A' ' 45' ' ' LYS . 0.7 OUTLIER -75.43 -30.04 59.9 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.336 -179.79 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.8 pp -89.78 -18.74 25.74 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 121.093 -0.243 . . . . 0.0 110.97 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.1 mt -94.49 12.44 27.28 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.753 0.311 . . . . 0.0 110.691 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.532 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 12.4 t-80 -83.78 136.13 42.2 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.391 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.532 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 19.6 Cg_endo -58.9 -15.21 25.94 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.679 2.253 . . . . 0.0 112.942 -179.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -86.47 -21.66 26.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.645 0.26 . . . . 0.0 110.994 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.475 ' HD3' ' N ' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -103.77 30.74 4.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.661 -179.861 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 62.96 47.6 87.46 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.564 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -115.98 168.23 12.63 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.415 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.521 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -90.07 141.39 28.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.798 0.332 . . . . 0.0 110.715 179.882 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.459 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 34.8 p80 -74.25 -38.8 63.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.817 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.408 ' HA ' ' HG2' ' A' ' 53' ' ' GLN . . . -57.04 -25.22 58.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.591 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.521 HD13 ' HB2' ' A' ' 48' ' ' SER . 1.4 mp -79.78 -50.05 11.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.199 -179.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.8 tpt -60.58 -44.63 96.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.222 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 2.3 pt20 -64.02 -25.1 67.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.075 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -79.84 -43.07 23.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.01 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.774 HD11 ' CD2' ' A' ' 17' ' ' LEU . 10.2 tp -56.43 -49.96 73.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.183 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -61.84 -31.8 72.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.871 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.4 t -80.17 -35.11 36.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.947 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.599 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 16.6 mt -83.74 -24.14 31.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.083 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.605 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 67.7 t-105 -89.99 -24.99 21.09 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.54 -61.76 3.49 Favored Glycine 0 C--N 1.335 0.476 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.17 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.684 HG23 HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -53.11 -47.07 68.91 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 178.883 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.535 ' HB2' ' O ' ' A' ' 58' ' ' LEU . 2.2 t80 -48.84 -52.48 23.92 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 113.0 -1.909 . . . . 0.0 109.33 177.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.605 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -55.75 -37.77 68.95 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.315 -1.311 . . . . 0.0 111.156 179.675 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.2 m -47.2 -39.4 13.87 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.274 0.559 . . . . 0.0 109.654 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -85.54 -30.27 23.52 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.787 178.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.605 HG11 ' CE1' ' A' ' 27' ' ' PHE . 66.9 t . . . . . 0 C--O 1.231 0.117 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.084 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.776 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.6 pt? . . . . . 0 N--CA 1.463 0.206 0 CA-C-O 121.009 0.433 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 p -90.08 -179.44 5.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.487 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 58.0 ttp85 -52.99 -35.62 59.47 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.656 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.82 -43.57 95.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.234 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.776 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 1.2 m-20 -69.56 -55.4 10.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.588 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.466 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -54.04 -42.71 69.49 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.757 0.313 . . . . 0.0 110.657 -179.33 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.456 ' HG2' ' HD3' ' A' ' 10' ' ' LYS . 4.9 mm-40 -67.74 -28.22 67.45 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.61 -48.13 42.16 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.523 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.554 ' O ' HD23 ' A' ' 17' ' ' LEU . 1.4 tp -58.44 -32.34 68.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.32 179.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.652 HD21 ' HE3' ' A' ' 24' ' ' TRP . 13.5 mt -66.01 -42.27 89.9 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.154 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -58.58 -37.92 76.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.1 0.476 . . . . 0.0 110.605 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.422 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 9.6 mp -81.98 -17.52 46.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.018 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.554 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.1 mm? -90.21 -5.87 55.91 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? 55.31 19.77 3.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.446 0.641 . . . . 0.0 109.74 -178.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.79 HD21 ' CD2' ' A' ' 23' ' ' LEU . 4.4 tt -111.23 110.74 56.01 Favored Pre-proline 0 N--CA 1.45 -0.453 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.486 -179.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.426 ' HB2' HD12 ' A' ' 23' ' ' LEU . 80.2 Cg_exo -45.95 167.74 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.836 2.357 . . . . 0.0 113.645 -178.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.482 ' HG3' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -90.22 -2.88 58.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.48 179.853 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -82.57 -29.59 30.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.788 0.328 . . . . 0.0 111.492 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.79 ' CD2' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -104.48 14.44 30.04 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.297 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.652 ' HE3' HD21 ' A' ' 14' ' ' LEU . 53.3 t-105 -52.94 97.96 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.192 179.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 157.13 -24.82 0.47 Allowed Glycine 0 C--N 1.332 0.321 0 C-N-CA 120.618 -0.801 . . . . 0.0 113.002 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -75.05 91.94 2.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.64 0.257 . . . . 0.0 111.203 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.791 ' CE1' HG11 ' A' ' 66' ' ' VAL . 29.2 t80 -51.58 -33.34 32.23 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.388 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.461 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -67.13 -35.82 89.36 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.62 -0.8 . . . . 0.0 113.0 -179.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -79.49 -46.02 18.23 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.687 0.255 . . . . 0.0 111.687 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.447 ' CG ' ' HA ' ' A' ' 27' ' ' PHE . 18.2 ptp -60.37 -47.19 87.12 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.339 -179.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -64.71 -35.08 79.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.757 0.313 . . . . 0.0 110.36 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.461 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -65.56 -41.74 92.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.123 0.487 . . . . 0.0 110.046 179.152 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.468 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -73.02 -41.49 64.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.604 179.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.466 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 9.0 t80 -49.43 -43.65 44.87 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.783 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.0 -36.05 61.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -66.2 -35.17 79.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.717 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.422 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 27.7 mm100 -89.11 -20.7 23.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.164 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.07 -31.47 69.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.578 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.3 mt -70.73 -39.82 73.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.936 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 pp -84.56 -11.98 55.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.302 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.666 HD22 ' HB3' ' A' ' 51' ' ' LEU . 29.7 mt -93.42 -3.94 52.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.211 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.483 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 9.3 t-80 -82.84 130.37 58.2 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.723 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.483 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 86.1 Cg_exo -45.38 -28.6 4.01 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.926 2.417 . . . . 0.0 113.381 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.15 -11.02 60.18 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.239 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.463 ' HE2' ' HB3' ' A' ' 42' ' ' HIS . 0.1 OUTLIER -119.67 31.36 6.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.798 0.332 . . . . 0.0 110.867 -179.798 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.33 57.02 11.09 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.49 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -133.2 173.12 21.2 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.44 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.22 151.02 21.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.919 0.39 . . . . 0.0 111.035 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 63.8 t60 -83.13 -26.7 30.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.071 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.1 -26.64 53.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.457 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.666 ' HB3' HD22 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -77.14 -49.13 15.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.873 -179.824 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -46.79 85.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.015 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -33.52 76.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.823 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -69.19 -35.76 76.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.611 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.521 HD22 ' CD1' ' A' ' 41' ' ' LEU . 13.2 tp -58.68 -51.11 71.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.325 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -61.59 -35.82 78.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.178 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.2 p -73.55 -37.37 65.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.042 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.613 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 13.3 mt -81.15 -26.16 36.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.215 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.604 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 62.0 t-105 -90.05 -26.4 20.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.974 0.416 . . . . 0.0 110.021 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.47 -67.35 1.98 Allowed Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.044 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.54 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -49.9 -50.1 47.25 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 179.068 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.54 ' N ' ' CG2' ' A' ' 61' ' ' THR . 3.8 t80 -45.6 -50.85 12.85 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 113.6 -1.636 . . . . 0.0 109.203 177.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.604 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -56.33 -35.65 67.84 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 114.019 -1.446 . . . . 0.0 110.884 179.398 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.8 m -48.06 -39.46 20.1 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 121.338 0.59 . . . . 0.0 109.546 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -84.96 -30.95 23.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.706 178.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.791 HG11 ' CE1' ' A' ' 27' ' ' PHE . 77.5 t . . . . . 0 N--CA 1.456 -0.16 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.179 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.694 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.15 0.5 . . . . 0.0 111.75 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.6 p -88.9 -167.17 1.8 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.12 -179.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.536 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 14.5 mtt-85 -60.62 -37.9 82.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.204 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.22 -52.54 33.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.312 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.694 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 33.5 m-20 -59.48 -49.78 76.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.848 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -60.91 -34.64 74.98 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.362 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.536 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -65.54 -37.87 87.98 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.62 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -64.56 -33.72 76.57 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.152 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.766 HD12 HD12 ' A' ' 55' ' ' LEU . 3.3 tp -61.6 -43.38 98.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.332 179.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.712 HD22 HD23 ' A' ' 19' ' ' LEU . 15.3 mt -64.19 -40.67 96.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.81 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -55.63 -32.84 63.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.936 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -84.94 -20.53 30.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.861 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.749 ' CD1' HD11 ' A' ' 55' ' ' LEU . 8.8 mp -85.51 -5.32 59.3 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.799 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 53.12 19.98 1.62 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.19 0.519 . . . . 0.0 110.321 -179.04 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 1.061 HD21 HD21 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -111.01 124.95 31.62 Favored Pre-proline 0 N--CA 1.448 -0.558 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.782 -179.15 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.44 ' HB2' HD12 ' A' ' 23' ' ' LEU . 71.2 Cg_exo -45.48 164.43 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.756 2.304 . . . . 0.0 113.698 -178.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.57 ' HA ' HD13 ' A' ' 14' ' ' LEU . 6.4 ptt85 -90.68 -15.52 30.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.973 179.111 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -65.34 -36.22 83.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.77 -179.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.061 HD21 HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -90.81 4.59 51.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.735 -179.435 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.544 ' CE3' HD11 ' A' ' 14' ' ' LEU . 62.9 t-105 -51.59 100.69 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.419 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 153.94 -36.37 0.72 Allowed Glycine 0 C--N 1.332 0.354 0 C-N-CA 120.523 -0.846 . . . . 0.0 113.281 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.451 ' O ' ' HG2' ' A' ' 30' ' ' MET . 5.4 t70 -83.75 96.16 8.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.728 0.264 . . . . 0.0 111.615 -179.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.858 ' CD1' HG11 ' A' ' 66' ' ' VAL . 3.0 t80 -42.71 -44.61 4.4 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.639 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.82 -41.73 91.3 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.913 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.3 mtm-85 -77.91 -51.71 10.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.692 0.282 . . . . 0.0 111.309 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.546 ' HA ' HD13 ' A' ' 19' ' ' LEU . 13.9 ptp -59.23 -40.96 87.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.93 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -67.68 -32.81 73.73 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.916 0.389 . . . . 0.0 110.208 179.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -34.34 71.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.004 179.122 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.604 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -78.43 -46.4 19.9 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.526 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.43 ' CE2' ' CB ' ' A' ' 59' ' ' TRP . 4.8 t80 -54.59 -47.9 72.78 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.341 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -61.44 -40.97 96.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.731 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -76.42 -23.22 53.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.02 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.529 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 1.4 mp0 -89.78 -22.86 21.93 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.904 0.383 . . . . 0.0 110.837 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 83.0 p -71.35 -29.18 64.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.877 0.37 . . . . 0.0 110.247 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.98 -32.57 74.13 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.093 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.8 pp -89.32 -16.86 30.1 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.703 0.287 . . . . 0.0 111.006 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.712 HD22 ' HB3' ' A' ' 51' ' ' LEU . 43.5 mt -94.33 0.93 55.88 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 120.87 0.367 . . . . 0.0 110.958 179.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.535 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 19.1 t-80 -88.48 142.43 31.2 Favored Pre-proline 0 CA--C 1.532 0.269 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.225 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.535 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 30.8 Cg_endo -64.94 -5.87 11.6 Favored 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 122.702 2.268 . . . . 0.0 113.638 -179.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -88.95 -21.58 23.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.767 0.318 . . . . 0.0 110.866 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -109.58 29.36 7.65 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.651 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.66 41.43 64.69 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.492 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -115.79 163.51 12.31 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.554 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.12 146.3 24.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.85 0.357 . . . . 0.0 110.999 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.407 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -78.62 -21.65 48.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.214 -179.469 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -74.32 -27.15 60.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.859 0.361 . . . . 0.0 111.12 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.712 ' HB3' HD22 ' A' ' 41' ' ' LEU . 1.9 mp -78.34 -51.22 10.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.933 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -40.29 71.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.342 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.428 ' HG3' ' N ' ' A' ' 54' ' ' GLU . 10.1 pt20 -74.23 -36.13 63.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.232 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -62.84 -50.75 69.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.909 0.385 . . . . 0.0 110.889 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.766 HD12 HD12 ' A' ' 13' ' ' LEU . 17.3 tp -62.57 -37.83 87.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.942 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.93 -37.28 79.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.774 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.11 -30.2 68.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.831 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.51 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 0.9 OUTLIER -86.01 -26.63 25.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.026 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.637 ' HB2' HD11 ' A' ' 13' ' ' LEU . 69.9 t-105 -90.13 -19.15 24.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.278 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.13 -62.66 2.56 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.918 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.591 ' CG2' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -54.46 -49.82 69.17 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 178.919 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.53 ' N ' ' CG2' ' A' ' 61' ' ' THR . 6.5 t80 -44.41 -54.26 6.06 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 113.497 -1.683 . . . . 0.0 109.111 177.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.585 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 1.4 ttmt -54.37 -44.66 72.41 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.311 -1.313 . . . . 0.0 110.745 178.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.44 ' HB ' ' O ' ' A' ' 61' ' ' THR . 87.3 m -49.91 -35.28 23.2 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 178.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -85.37 -30.12 23.89 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.694 178.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.858 HG11 ' CD1' ' A' ' 27' ' ' PHE . 58.1 t . . . . . 0 N--CA 1.455 -0.202 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.274 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.694 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.15 0.5 . . . . 0.0 111.75 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.6 p -88.9 -167.17 1.8 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.12 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.536 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 14.5 mtt-85 -60.62 -37.9 82.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.204 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.22 -52.54 33.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.312 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.694 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 33.5 m-20 -59.48 -49.78 76.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.848 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -60.91 -34.64 74.98 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.362 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.536 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -65.54 -37.87 87.98 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.62 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -64.56 -33.72 76.57 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.152 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.766 HD12 HD12 ' A' ' 55' ' ' LEU . 3.3 tp -61.6 -43.38 98.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.332 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.712 HD22 HD23 ' A' ' 19' ' ' LEU . 15.3 mt -64.19 -40.67 96.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.81 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -55.63 -32.84 63.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.936 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -84.94 -20.53 30.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.861 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.749 ' CD1' HD11 ' A' ' 55' ' ' LEU . 8.8 mp -85.51 -5.32 59.3 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.799 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 53.12 19.98 1.62 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.19 0.519 . . . . 0.0 110.321 -179.04 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 1.061 HD21 HD21 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -111.01 124.95 31.62 Favored Pre-proline 0 N--CA 1.448 -0.558 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.782 -179.15 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.44 ' HB2' HD12 ' A' ' 23' ' ' LEU . 71.2 Cg_exo -45.48 164.43 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.756 2.304 . . . . 0.0 113.698 -178.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.57 ' HA ' HD13 ' A' ' 14' ' ' LEU . 6.4 ptt85 -90.68 -15.52 30.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.973 179.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -65.34 -36.22 83.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.77 -179.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.061 HD21 HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -90.81 4.59 51.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.735 -179.435 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.544 ' CE3' HD11 ' A' ' 14' ' ' LEU . 62.9 t-105 -51.59 100.69 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.419 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 153.94 -36.37 0.72 Allowed Glycine 0 C--N 1.332 0.354 0 C-N-CA 120.523 -0.846 . . . . 0.0 113.281 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.451 ' O ' ' HG2' ' A' ' 30' ' ' MET . 5.4 t70 -83.75 96.16 8.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.728 0.264 . . . . 0.0 111.615 -179.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.858 ' CD1' HG11 ' A' ' 66' ' ' VAL . 3.0 t80 -42.71 -44.61 4.4 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.639 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.82 -41.73 91.3 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.913 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.3 mtm-85 -77.91 -51.71 10.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.692 0.282 . . . . 0.0 111.309 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.546 ' HA ' HD13 ' A' ' 19' ' ' LEU . 13.9 ptp -59.23 -40.96 87.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.93 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -67.68 -32.81 73.73 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.916 0.389 . . . . 0.0 110.208 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -34.34 71.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.004 179.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.604 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -78.43 -46.4 19.9 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.526 179.345 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.43 ' CE2' ' CB ' ' A' ' 59' ' ' TRP . 4.8 t80 -54.59 -47.9 72.78 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.341 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -61.44 -40.97 96.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.731 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -76.42 -23.22 53.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.02 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.529 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 1.4 mp0 -89.78 -22.86 21.93 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.904 0.383 . . . . 0.0 110.837 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 83.0 p -71.35 -29.18 64.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.877 0.37 . . . . 0.0 110.247 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.98 -32.57 74.13 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.093 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.8 pp -89.32 -16.86 30.1 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.703 0.287 . . . . 0.0 111.006 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.712 HD22 ' HB3' ' A' ' 51' ' ' LEU . 43.5 mt -94.33 0.93 55.88 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 120.87 0.367 . . . . 0.0 110.958 179.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.535 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 19.1 t-80 -88.48 142.43 31.2 Favored Pre-proline 0 CA--C 1.532 0.269 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.225 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.535 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 30.8 Cg_endo -64.94 -5.87 11.6 Favored 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 122.702 2.268 . . . . 0.0 113.638 -179.088 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -88.95 -21.58 23.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.767 0.318 . . . . 0.0 110.866 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -109.58 29.36 7.65 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.651 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.66 41.43 64.69 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.492 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -115.79 163.51 12.31 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.554 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.12 146.3 24.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.85 0.357 . . . . 0.0 110.999 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.407 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -78.62 -21.65 48.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.214 -179.469 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -74.32 -27.15 60.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.859 0.361 . . . . 0.0 111.12 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.712 ' HB3' HD22 ' A' ' 41' ' ' LEU . 1.9 mp -78.34 -51.22 10.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.933 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -40.29 71.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.342 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.428 ' HG3' ' N ' ' A' ' 54' ' ' GLU . 10.1 pt20 -74.23 -36.13 63.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.232 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -62.84 -50.75 69.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.909 0.385 . . . . 0.0 110.889 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.766 HD12 HD12 ' A' ' 13' ' ' LEU . 17.3 tp -62.57 -37.83 87.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.942 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.93 -37.28 79.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.774 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.11 -30.2 68.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.831 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.51 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 0.9 OUTLIER -86.01 -26.63 25.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.026 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.637 ' HB2' HD11 ' A' ' 13' ' ' LEU . 69.9 t-105 -90.13 -19.15 24.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.278 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.13 -62.66 2.56 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.918 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.591 ' CG2' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -54.46 -49.82 69.17 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 178.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.53 ' N ' ' CG2' ' A' ' 61' ' ' THR . 6.5 t80 -44.41 -54.26 6.06 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 113.497 -1.683 . . . . 0.0 109.111 177.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.585 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 1.4 ttmt -54.37 -44.66 72.41 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.311 -1.313 . . . . 0.0 110.745 178.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.44 ' HB ' ' O ' ' A' ' 61' ' ' THR . 87.3 m -49.91 -35.28 23.2 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 178.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -85.37 -30.12 23.89 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.694 178.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.858 HG11 ' CD1' ' A' ' 27' ' ' PHE . 58.1 t . . . . . 0 N--CA 1.455 -0.202 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.274 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.848 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.1 pt? . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.01 0.433 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.3 p -90.11 -172.79 3.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.598 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.418 ' HG2' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -59.28 -31.27 68.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.151 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.418 ' N ' ' HG2' ' A' ' 7' ' ' ARG . . . -71.5 -37.76 71.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.273 -179.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.848 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 92.8 m-20 -66.63 -59.35 3.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.187 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.63 ' N ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -59.55 -38.4 80.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.913 0.387 . . . . 0.0 110.256 -179.896 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 4.7 tt0 -64.02 -40.82 97.18 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.976 178.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -39.25 80.35 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.363 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.67 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.9 tp -63.16 -33.47 75.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.297 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.879 HD22 ' O ' ' A' ' 19' ' ' LEU . 12.7 mt -69.31 -38.84 78.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.067 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 75.6 mm-40 -55.59 -46.44 77.28 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.004 0.431 . . . . 0.0 110.542 179.634 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.484 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 5.0 mt -76.12 -15.96 59.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.929 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.67 HD23 ' O ' ' A' ' 13' ' ' LEU . 2.0 mm? -90.36 -9.55 47.27 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.39 20.25 1.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.319 0.581 . . . . 0.0 110.001 -178.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.879 ' O ' HD22 ' A' ' 14' ' ' LEU . 3.3 tt -110.49 110.61 57.75 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.947 -179.067 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.423 ' O ' HD13 ' A' ' 23' ' ' LEU . 88.8 Cg_exo -46.38 167.05 0.07 OUTLIER 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.689 2.259 . . . . 0.0 113.313 -178.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.58 ' HG3' HD13 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -89.97 -3.34 58.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.101 179.393 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -78.1 -33.28 50.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.036 0.446 . . . . 0.0 110.995 -179.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.758 ' CD2' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -102.69 11.7 37.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.267 179.903 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.613 ' HE3' HD21 ' A' ' 14' ' ' LEU . 43.9 t-105 -55.68 92.5 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.085 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 167.25 -31.73 0.19 Allowed Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.524 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -73.76 94.91 2.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.697 0.284 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.6 ' CE1' HG11 ' A' ' 66' ' ' VAL . 71.1 t80 -52.56 -31.43 35.85 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.536 -179.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.15 -38.23 82.72 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.774 -0.727 . . . . 0.0 113.275 -179.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 60.1 mtt-85 -80.3 -37.17 33.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.745 0.272 . . . . 0.0 111.718 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.766 ' HA ' HD13 ' A' ' 19' ' ' LEU . 10.3 ptp -65.11 -47.61 76.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.584 0.231 . . . . 0.0 110.814 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.43 ' N ' ' HG3' ' A' ' 30' ' ' MET . 24.1 tt0 -63.13 -38.35 90.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.896 0.379 . . . . 0.0 110.734 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -58.98 -31.91 69.18 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.378 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.517 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -82.6 -40.28 21.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.836 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.446 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 12.6 t80 -57.07 -48.83 77.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.605 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 35.2 mtpt -64.86 -40.56 95.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.817 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -60.52 -48.46 81.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.747 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.565 ' HA ' HD21 ' A' ' 40' ' ' LEU . 28.9 mm100 -79.78 -18.14 51.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.142 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.1 -29.99 68.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.994 0.426 . . . . 0.0 110.0 179.12 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.35 -41.39 80.76 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.752 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.565 HD21 ' HA ' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -79.64 -10.56 59.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.124 179.835 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.461 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 7.5 mt -95.31 -1.71 50.78 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 120.651 0.263 . . . . 0.0 111.355 179.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.575 ' HD2' ' HB2' ' A' ' 44' ' ' ASP . 20.5 t60 -79.91 142.21 55.97 Favored Pre-proline 0 CA--C 1.53 0.195 0 CA-C-N 116.543 -0.298 . . . . 0.0 110.507 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 18.2 Cg_endo -61.95 -12.36 25.63 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.753 2.302 . . . . 0.0 113.932 -178.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.575 ' HB2' ' HD2' ' A' ' 42' ' ' HIS . 1.3 m-20 -88.46 -23.07 23.36 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.992 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.424 ' HD3' ' HB3' ' A' ' 42' ' ' HIS . 3.0 mptp? -103.71 27.65 7.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.771 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 75.66 26.73 64.51 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.654 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -89.32 160.43 29.35 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.375 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.04 156.25 18.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.747 0.308 . . . . 0.0 110.862 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.442 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 12.2 m170 -83.12 -40.67 19.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.959 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.95 -28.56 67.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.242 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.461 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 7.5 mt -75.05 -51.51 13.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.057 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.52 ' O ' ' HB2' ' A' ' 56' ' ' ASN . 8.3 tpt -50.77 -27.69 7.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.376 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 4.2 mm-40 -83.03 -36.53 24.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.799 0.333 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -58.93 -54.81 42.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.067 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.612 HD12 HD12 ' A' ' 13' ' ' LEU . 16.1 tp -65.8 -38.9 90.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.182 -179.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.52 ' HB2' ' O ' ' A' ' 52' ' ' MET . 1.9 t-20 -63.6 -44.88 92.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.911 0.386 . . . . 0.0 110.812 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.84 -27.64 66.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.739 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.561 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 10.9 mt -80.82 -28.48 36.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.087 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.552 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 69.5 t-105 -87.03 -24.24 24.7 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.434 ' HA2' ' NZ ' ' A' ' 63' ' ' LYS . . . -69.91 -64.85 2.75 Favored Glycine 0 C--N 1.334 0.437 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.287 179.162 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.626 HG23 HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -52.18 -46.58 65.59 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 179.169 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.528 ' HB2' ' O ' ' A' ' 58' ' ' LEU . 2.7 t80 -49.88 -51.98 36.34 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 113.195 -1.821 . . . . 0.0 109.4 177.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.585 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 0.3 OUTLIER -52.08 -41.01 62.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.3 -1.318 . . . . 0.0 110.988 179.636 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 61' ' ' THR . 85.6 m -50.45 -37.71 39.67 Favored 'General case' 0 CA--C 1.522 -0.126 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -84.08 -31.27 25.41 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.391 178.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.6 HG11 ' CE1' ' A' ' 27' ' ' PHE . 53.9 t . . . . . 0 N--CA 1.455 -0.218 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.573 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.836 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.1 pt? . . . . . 0 N--CA 1.462 0.135 0 CA-C-O 120.947 0.404 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.0 p -89.33 -174.66 4.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.071 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -56.94 -36.75 70.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.182 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.0 -37.81 88.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.836 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 26.0 m-20 -69.15 -58.1 4.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.561 ' N ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -57.92 -39.74 78.71 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.764 0.316 . . . . 0.0 110.574 -179.656 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.443 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 2.0 mm-40 -61.55 -42.22 98.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.383 179.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.578 ' HE ' HD21 ' A' ' 16' ' ' LEU . 11.5 tpt180 -70.37 -29.08 65.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.252 179.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.653 ' O ' HD23 ' A' ' 17' ' ' LEU . 4.1 tp -69.7 -34.01 73.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.073 179.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.812 HD22 ' O ' ' A' ' 19' ' ' LEU . 15.4 mt -74.78 -41.4 60.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.828 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -56.14 -37.64 69.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.692 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.578 HD21 ' HE ' ' A' ' 12' ' ' ARG . 3.4 mm? -85.63 -19.27 31.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.527 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.653 HD23 ' O ' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -88.03 -8.04 56.16 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.711 -179.63 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.8 mptt 54.15 19.7 2.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.245 0.545 . . . . 0.0 110.07 -178.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.812 ' O ' HD22 ' A' ' 14' ' ' LEU . 3.4 tt -108.96 108.83 60.91 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.879 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.404 ' O ' HD13 ' A' ' 23' ' ' LEU . 77.6 Cg_exo -49.43 169.69 0.11 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.692 2.261 . . . . 0.0 113.188 -178.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -89.64 -3.38 58.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.858 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -76.31 -32.03 58.49 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.714 HD21 ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -107.83 14.64 25.25 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.107 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.639 ' HE3' HD21 ' A' ' 14' ' ' LEU . 46.6 t-105 -57.6 97.75 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.013 179.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 159.03 -26.01 0.36 Allowed Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.51 -0.853 . . . . 0.0 112.985 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -79.57 100.63 7.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.731 0.3 . . . . 0.0 111.03 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.728 ' CE1' HG11 ' A' ' 66' ' ' VAL . 28.4 t80 -52.98 -42.96 66.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.619 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.15 -32.31 71.22 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.849 -0.691 . . . . 0.0 113.268 -179.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 29' ' ' ARG . 20.4 mtt180 -83.06 -47.03 12.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.776 0.288 . . . . 0.0 111.724 -179.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.631 ' HA ' HD13 ' A' ' 19' ' ' LEU . 13.4 ptp -58.96 -40.35 84.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.626 0.251 . . . . 0.0 110.886 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -71.27 -36.41 71.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.795 0.331 . . . . 0.0 110.325 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -63.36 -34.4 77.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.246 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.516 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -81.19 -39.62 25.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.685 179.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.445 ' CE2' ' CB ' ' A' ' 59' ' ' TRP . 13.6 t80 -53.73 -44.3 69.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.527 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -72.32 -38.45 68.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.398 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -37.6 81.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.709 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 -88.8 -20.27 24.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.6 m -68.0 -29.52 68.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.708 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.1 mt -72.32 -33.68 67.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.983 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.601 HD12 ' HG ' ' A' ' 41' ' ' LEU . 2.9 pp -85.44 -17.04 37.75 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.958 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.601 ' HG ' HD12 ' A' ' 40' ' ' LEU . 32.8 mt -95.18 -4.23 46.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.252 179.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -79.39 123.72 84.36 Favored Pre-proline 0 N--CA 1.455 -0.187 0 CA-C-O 120.746 0.307 . . . . 0.0 110.448 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo -43.74 -27.6 1.61 Allowed 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.972 2.448 . . . . 0.0 113.551 -179.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.99 -12.18 60.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.627 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt -118.43 28.86 8.08 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.805 0.336 . . . . 0.0 110.866 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.85 16.58 79.3 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.809 -0.71 . . . . 0.0 113.01 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -87.11 163.29 34.41 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.385 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.556 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -87.58 152.79 21.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.904 0.383 . . . . 0.0 110.744 -179.859 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -78.97 -41.96 27.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.821 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.403 ' HA ' ' HG2' ' A' ' 53' ' ' GLN . . . -58.02 -34.61 70.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.571 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.587 ' HB3' HD22 ' A' ' 41' ' ' LEU . 4.0 mp -71.87 -53.25 13.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.925 0.393 . . . . 0.0 111.04 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 10.4 tpt -56.3 -45.74 80.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.415 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.403 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 4.0 pt20 -67.31 -26.85 66.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.71 0.291 . . . . 0.0 111.216 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.91 -54.48 21.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.369 . . . . 0.0 110.75 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.44 HD11 HD23 ' A' ' 17' ' ' LEU . 8.3 tp -56.7 -40.2 75.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.991 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -58.09 -33.04 68.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.798 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.69 -31.32 41.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.788 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.601 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 14.6 mt -80.89 -29.67 35.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.779 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.59 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 70.3 t-105 -88.8 -20.88 24.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.01 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.411 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -73.15 -64.12 2.62 Favored Glycine 0 C--N 1.335 0.479 0 C-N-CA 121.041 -0.599 . . . . 0.0 111.892 179.214 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.578 HG21 ' HB3' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -53.39 -50.9 64.16 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 179.001 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.532 ' N ' ' CG2' ' A' ' 61' ' ' THR . 4.7 t80 -45.32 -49.62 12.66 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 113.407 -1.724 . . . . 0.0 109.738 177.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.59 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 1.9 ttmt -55.2 -36.03 65.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.363 -1.29 . . . . 0.0 111.066 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 41.0 m -47.45 -39.4 15.66 Favored 'General case' 0 CA--C 1.522 -0.107 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -85.25 -30.63 23.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.955 178.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.728 HG11 ' CE1' ' A' ' 27' ' ' PHE . 69.1 t . . . . . 0 C--O 1.23 0.066 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.151 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.824 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.6 pt? . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.944 0.402 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.6 p -90.18 -174.67 4.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.22 -179.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -57.46 -33.95 68.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.955 179.862 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.23 -46.81 72.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.526 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.824 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 50.1 m-20 -58.12 -59.38 5.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.015 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.559 ' N ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -52.2 -39.85 60.72 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.09 0.472 . . . . 0.0 110.112 179.813 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.434 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 2.3 mt-10 -65.13 -38.95 92.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.579 178.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.414 ' CD ' HD11 ' A' ' 58' ' ' LEU . 1.3 ttt-85 -70.76 -31.21 67.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.6 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.685 ' O ' HD23 ' A' ' 17' ' ' LEU . 3.6 tp -72.98 -31.26 64.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.531 179.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.839 HD22 ' O ' ' A' ' 19' ' ' LEU . 11.7 mt -74.79 -41.33 60.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.299 -179.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -61.7 -38.85 89.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 mt -82.02 -18.6 42.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.276 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.685 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.9 mm? -88.9 -5.3 58.09 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.0 18.52 2.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.232 0.539 . . . . 0.0 110.253 -178.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.839 ' O ' HD22 ' A' ' 14' ' ' LEU . 1.8 tt -106.11 110.79 64.3 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.285 -179.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.55 ' N ' HD21 ' A' ' 23' ' ' LEU . 46.1 Cg_exo -46.7 -176.4 0.0 OUTLIER 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.987 2.458 . . . . 0.0 112.892 -179.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -90.5 -35.02 15.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.996 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -51.91 -33.97 39.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.585 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.67 HD23 ' H ' ' A' ' 23' ' ' LEU . 1.4 pt? -102.19 12.94 35.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.194 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.688 ' HE3' HD21 ' A' ' 14' ' ' LEU . 46.7 t-105 -53.65 92.63 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.786 0.327 . . . . 0.0 110.773 179.617 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 144.91 -23.93 1.94 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.43 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.412 ' O ' ' HG2' ' A' ' 30' ' ' MET . 27.0 t0 -57.28 97.51 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.691 0.282 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.43 ' HA ' ' SD ' ' A' ' 30' ' ' MET . 15.9 t80 -56.11 -46.56 79.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.741 -179.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.31 -38.68 96.82 Favored Glycine 0 CA--C 1.52 0.372 0 C-N-CA 120.826 -0.702 . . . . 0.0 113.324 -179.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.17 -38.76 26.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.89 0.345 . . . . 0.0 111.919 -179.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.43 ' SD ' ' HA ' ' A' ' 27' ' ' PHE . 7.0 ptp -64.73 -47.28 78.84 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 121.044 -0.263 . . . . 0.0 111.02 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -62.27 -42.37 99.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.766 0.317 . . . . 0.0 110.395 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.9 -38.43 75.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.051 0.453 . . . . 0.0 110.159 179.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.59 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -74.51 -44.61 50.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.138 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.549 ' HB2' HD11 ' A' ' 17' ' ' LEU . 7.8 t80 -55.38 -45.72 76.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.297 179.351 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.407 ' HA ' ' OG ' ' A' ' 38' ' ' SER . 7.9 mtpm? -65.15 -28.64 69.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.877 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -46.59 44.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.234 -179.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.433 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 4.7 mm-40 -82.04 -21.58 36.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.543 -179.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.488 ' HA ' ' HE1' ' A' ' 52' ' ' MET . 91.9 p -73.6 -29.46 62.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.884 0.373 . . . . 0.0 110.762 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.2 mt -74.09 -36.14 64.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.066 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.433 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 3.7 pp -84.87 -14.95 46.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.11 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.614 HD22 ' HB3' ' A' ' 51' ' ' LEU . 15.1 mt -94.49 13.92 22.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.748 0.308 . . . . 0.0 110.964 179.42 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.459 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 18.0 t-80 -90.03 137.71 27.93 Favored Pre-proline 0 N--CA 1.454 -0.256 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.927 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -47.81 -24.76 5.24 Favored 'Trans proline' 0 CA--C 1.529 0.242 0 C-N-CA 122.829 2.353 . . . . 0.0 112.778 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -88.0 -25.02 23.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.64 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.459 ' HD3' ' HB3' ' A' ' 42' ' ' HIS . 1.7 mptp? -103.76 31.16 4.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.803 0.335 . . . . 0.0 111.078 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.8 46.72 65.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.467 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -116.1 159.08 14.05 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.486 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.563 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -90.22 161.22 15.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.864 0.364 . . . . 0.0 110.889 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -83.03 -48.66 10.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.768 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.96 -26.67 64.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.189 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.614 ' HB3' HD22 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -81.44 -52.74 6.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.025 -179.918 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.488 ' HE1' ' HA ' ' A' ' 38' ' ' SER . 8.0 tpt -51.19 -43.57 61.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.907 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.66 -33.51 72.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.532 179.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -64.45 -50.84 65.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.553 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.48 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 11.7 tp -66.56 -38.2 86.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.523 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -64.4 -50.16 68.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.008 0.432 . . . . 0.0 110.514 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 m -67.57 -27.15 66.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.686 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.615 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 14.1 mt -78.5 -26.91 46.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.541 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 66.5 t-105 -90.4 -27.42 19.33 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.0 -61.53 3.71 Favored Glycine 0 C--N 1.335 0.483 0 C-N-CA 120.977 -0.63 . . . . 0.0 111.771 179.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.635 HG23 HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -51.43 -50.5 59.59 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 178.721 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.561 ' N ' ' CG2' ' A' ' 61' ' ' THR . 1.3 t80 -45.65 -53.07 9.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 113.245 -1.798 . . . . 0.0 109.066 177.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.584 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -57.31 -38.61 74.3 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 113.921 -1.49 . . . . 0.0 110.961 179.468 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.96 -36.4 27.93 Favored 'General case' 0 CA--C 1.522 -0.123 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 178.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -85.39 -29.27 24.56 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.373 178.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.584 ' HB ' ' HA ' ' A' ' 63' ' ' LYS . 54.0 t . . . . . 0 N--CA 1.456 -0.166 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.86 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.811 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 121.134 0.492 . . . . 0.0 111.602 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.9 p -90.05 -174.96 4.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.866 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.7 ttm-85 -60.43 -28.93 68.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.82 -27.33 57.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.677 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.811 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 5.1 m-20 -88.87 -47.98 7.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.749 -0.205 . . . . 0.0 111.257 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.482 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -59.35 -34.74 72.75 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.939 0.399 . . . . 0.0 110.294 179.71 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.431 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 19.5 pt-20 -69.65 -32.82 71.71 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.0 ttt85 -63.37 -31.81 73.06 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.828 178.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.615 ' O ' HD23 ' A' ' 17' ' ' LEU . 1.7 tp -69.85 -32.9 71.53 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.734 178.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.826 HD22 ' O ' ' A' ' 19' ' ' LEU . 12.4 mt -67.56 -43.87 79.61 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.823 179.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -54.49 -54.07 45.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.758 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.45 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 7.3 mp -68.52 -16.68 63.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.911 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.657 ' CD2' HD11 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -90.14 -2.73 58.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.987 -179.452 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 48.98 21.25 0.44 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.285 0.564 . . . . 0.0 110.055 -178.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.826 ' O ' HD22 ' A' ' 14' ' ' LEU . 5.1 tt -111.82 110.05 54.86 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.605 -179.084 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.463 ' O ' HD13 ' A' ' 23' ' ' LEU . 79.8 Cg_exo -48.37 167.4 0.11 Allowed 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.519 2.146 . . . . 0.0 113.261 -178.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.28 -6.37 56.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.973 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -74.16 -34.51 63.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.128 0.489 . . . . 0.0 110.897 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.71 HD21 ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -101.93 12.96 36.1 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.562 -179.77 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.673 ' HE3' HD21 ' A' ' 14' ' ' LEU . 57.1 t-105 -52.08 109.6 0.39 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.478 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 143.31 -21.19 2.25 Favored Glycine 0 C--N 1.334 0.467 0 C-N-CA 120.873 -0.68 . . . . 0.0 113.254 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.503 ' O ' ' HG2' ' A' ' 30' ' ' MET . 13.1 t0 -78.77 92.28 4.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.645 0.26 . . . . 0.0 111.291 -179.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.749 ' CD1' HG11 ' A' ' 66' ' ' VAL . 14.5 t80 -48.53 -43.8 35.73 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.927 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.08 -33.59 87.64 Favored Glycine 0 CA--C 1.517 0.211 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.825 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.478 ' CZ ' ' HG ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -73.68 -49.97 23.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.731 0.301 . . . . 0.0 111.179 -179.819 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.607 ' HA ' HD13 ' A' ' 19' ' ' LEU . 12.5 ptp -60.77 -46.66 89.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.663 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -59.4 -42.1 90.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.799 0.333 . . . . 0.0 110.45 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.81 -41.6 82.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.567 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.434 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -76.67 -42.98 39.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.726 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.561 ' HB2' HD11 ' A' ' 17' ' ' LEU . 7.4 t80 -53.24 -45.61 68.82 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.194 179.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.436 ' HA ' ' OG ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -66.14 -33.66 76.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.774 179.815 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -67.51 -52.22 41.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.259 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.45 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 7.4 mm100 -74.89 -21.32 59.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.619 -179.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.436 ' OG ' ' HA ' ' A' ' 35' ' ' LYS . 80.8 p -71.69 -26.86 62.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.649 179.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.482 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 6.0 mt -79.21 -30.45 43.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.199 -179.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.554 HD12 ' HG ' ' A' ' 41' ' ' LEU . 3.8 pp -85.32 -17.07 37.94 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.114 -0.234 . . . . 0.0 111.359 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.608 HD21 HD22 ' A' ' 51' ' ' LEU . 14.3 mt -95.42 1.92 54.34 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.419 ' HD2' ' H ' ' A' ' 44' ' ' ASP . 9.1 t60 -80.45 134.4 54.84 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 120.765 0.317 . . . . 0.0 110.338 179.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -46.69 -19.54 0.77 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.92 2.413 . . . . 0.0 113.344 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.419 ' H ' ' HD2' ' A' ' 42' ' ' HIS . 4.5 m-20 -81.76 -21.94 37.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.702 0.286 . . . . 0.0 111.264 -179.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.482 ' HG3' ' O ' ' A' ' 39' ' ' LEU . 10.8 mmtt -116.57 31.1 6.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.814 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.0 88.16 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.636 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -158.13 164.8 33.51 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.503 -0.856 . . . . 0.0 112.59 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.06 148.23 23.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.868 0.366 . . . . 0.0 110.669 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.74 -42.38 41.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.664 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.53 -29.04 49.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.533 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.608 HD22 HD21 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -77.11 -50.79 12.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.062 -179.803 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 7.0 tpt -57.67 -26.83 62.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.964 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -79.98 -34.42 38.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.708 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.474 ' HG2' HD11 ' A' ' 58' ' ' LEU . 2.3 tt0 -69.39 -50.42 46.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.657 HD11 ' CD2' ' A' ' 17' ' ' LEU . 8.8 tp -57.93 -49.0 78.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.091 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -61.49 -35.66 78.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.834 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.33 -40.83 50.34 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.489 HD23 HD23 ' A' ' 5' ' ' LEU . 5.7 mt -76.34 -24.0 54.25 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.748 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.601 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 62.3 t-105 -90.24 -18.04 26.38 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.16 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.409 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -78.31 -61.59 2.46 Favored Glycine 0 C--N 1.336 0.582 0 C-N-CA 121.008 -0.615 . . . . 0.0 111.88 179.167 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.581 HG21 ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -55.71 -51.18 68.21 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 107.313 -1.366 . . . . 0.0 107.313 179.174 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.549 ' N ' ' CG2' ' A' ' 61' ' ' THR . 2.6 t80 -42.76 -54.8 3.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 113.805 -1.543 . . . . 0.0 109.303 177.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.601 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 1.1 ttmt -51.6 -44.12 62.75 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.03 -1.441 . . . . 0.0 111.584 179.333 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 68.7 m -47.31 -37.54 11.05 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-O 121.355 0.598 . . . . 0.0 109.701 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -85.44 -31.57 22.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.34 178.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.749 HG11 ' CD1' ' A' ' 27' ' ' PHE . 73.1 t . . . . . 0 N--CA 1.457 -0.118 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.999 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.787 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.0 pt? . . . . . 0 N--CA 1.464 0.252 0 CA-C-O 121.035 0.445 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.0 p -86.58 -174.53 5.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.498 -178.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.456 ' HG3' ' N ' ' A' ' 8' ' ' ALA . 18.1 ptt85 -58.33 -34.83 71.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.839 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.456 ' N ' ' HG3' ' A' ' 7' ' ' ARG . . . -65.99 -41.27 91.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.037 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.787 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -71.84 -53.41 13.35 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 120.834 0.35 . . . . 0.0 111.123 -179.805 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.518 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -62.28 -35.19 78.23 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.932 -179.184 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -65.62 -40.03 92.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.42 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.74 -31.25 70.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.004 179.265 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.726 ' O ' HD23 ' A' ' 17' ' ' LEU . 3.4 tp -65.74 -29.45 69.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.122 179.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.927 HD22 ' O ' ' A' ' 19' ' ' LEU . 13.1 mt -76.06 -38.05 57.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.986 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.04 -52.0 64.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.842 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.685 HD22 HD11 ' A' ' 41' ' ' LEU . 1.3 mt -74.63 -12.11 60.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.14 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.726 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.1 mm? -90.31 -10.0 45.76 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.418 ' HD2' ' NE2' ' A' ' 37' ' ' GLN . 0.0 OUTLIER 54.44 19.69 2.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.29 0.567 . . . . 0.0 110.173 -178.729 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.927 ' O ' HD22 ' A' ' 14' ' ' LEU . 2.6 tt -110.98 109.38 57.32 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.067 -179.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.426 ' O ' HD13 ' A' ' 23' ' ' LEU . 75.6 Cg_exo -47.04 168.3 0.06 OUTLIER 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.731 2.287 . . . . 0.0 113.365 -178.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -90.41 -3.39 57.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.115 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -78.27 -32.57 49.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.093 0.473 . . . . 0.0 110.791 -179.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.733 ' CD2' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -103.2 11.66 36.66 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.985 179.7 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.553 ' HE3' HD21 ' A' ' 14' ' ' LEU . 46.3 t-105 -56.02 104.27 0.13 Allowed 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.06 179.474 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.41 -29.67 0.7 Allowed Glycine 0 C--N 1.33 0.227 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.309 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.487 ' HB3' ' HB2' ' A' ' 29' ' ' ARG . 5.4 t0 -77.16 87.37 3.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.742 0.306 . . . . 0.0 110.957 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.672 ' CE1' HG11 ' A' ' 66' ' ' VAL . 50.1 t80 -45.49 -46.77 13.95 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.517 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.02 -32.46 62.66 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.755 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.487 ' HB2' ' HB3' ' A' ' 26' ' ' ASP . 5.5 ttt180 -78.59 -55.49 5.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.712 0.291 . . . . 0.0 111.079 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.805 ' HA ' HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -58.02 -49.57 76.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.137 -179.809 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -56.35 -42.64 78.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.718 0.294 . . . . 0.0 110.783 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 -57.13 -39.9 76.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.318 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.03 -38.94 63.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.561 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.524 ' CE2' ' CB ' ' A' ' 59' ' ' TRP . 25.4 t80 -50.76 -45.69 59.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.846 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.406 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 0.4 OUTLIER -72.51 -36.38 68.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.722 179.754 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -67.16 -35.95 80.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.016 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 23.9 mm100 -89.58 -21.65 22.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.231 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.3 m -69.12 -32.42 71.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.883 0.373 . . . . 0.0 110.609 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 35' ' ' LYS . 94.0 mt -70.62 -37.28 73.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.192 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.417 HD21 ' HA ' ' A' ' 37' ' ' GLN . 2.7 pp -78.92 -12.06 60.02 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.132 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.685 HD11 HD22 ' A' ' 16' ' ' LEU . 24.2 mt -93.37 1.66 56.83 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.675 -0.239 . . . . 0.0 110.913 179.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.47 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 17.9 t-80 -89.97 141.48 28.1 Favored Pre-proline 0 C--N 1.333 -0.139 0 CA-C-O 120.764 0.316 . . . . 0.0 110.785 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 82.4 Cg_exo -45.4 -28.62 4.07 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 123.082 2.521 . . . . 0.0 113.6 -179.57 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.56 -19.75 55.18 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.0 mmtt -119.45 31.01 6.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.786 0.327 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 65.68 76.27 0.35 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.482 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -141.1 157.78 26.12 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.598 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.792 ' CB ' HD13 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -89.91 165.84 13.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.836 0.351 . . . . 0.0 110.91 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.407 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 23.0 t-80 -81.27 -51.27 8.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.785 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.94 -27.18 68.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.45 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.792 HD13 ' CB ' ' A' ' 48' ' ' SER . 7.1 mp -65.18 -51.8 58.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.177 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -26.26 67.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.367 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 20.2 mm-40 -78.97 -30.55 44.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.75 0.309 . . . . 0.0 111.1 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -71.72 -50.21 32.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.161 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.533 HD11 HD21 ' A' ' 17' ' ' LEU . 13.1 tp -65.18 -40.34 94.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.218 -179.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -62.11 -39.55 92.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.77 0.319 . . . . 0.0 110.685 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.89 -36.58 64.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.731 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.623 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 53.0 mt -72.62 -24.62 61.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.242 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.601 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 66.3 t-105 -90.27 -19.9 23.57 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.33 -58.98 2.99 Favored Glycine 0 C--N 1.334 0.435 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.517 179.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.707 HG21 ' HB3' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -55.29 -50.18 70.22 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 107.254 -1.387 . . . . 0.0 107.254 178.653 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.755 ' O ' ' HG3' ' A' ' 65' ' ' GLU . 0.9 OUTLIER -45.77 -54.3 8.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 113.411 -1.722 . . . . 0.0 109.012 177.875 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.601 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 1.2 mtmt -58.1 -39.04 77.62 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.841 -1.072 . . . . 0.0 111.026 179.239 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.45 ' HB ' ' O ' ' A' ' 61' ' ' THR . 59.2 m -51.48 -40.03 58.68 Favored 'General case' 0 CA--C 1.521 -0.168 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.181 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.755 ' HG3' ' O ' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -85.14 -24.45 27.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.996 178.38 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.672 HG11 ' CE1' ' A' ' 27' ' ' PHE . 36.7 t . . . . . 0 N--CA 1.457 -0.087 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.593 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.775 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.0 pt? . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.891 0.376 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.1 p -86.08 -174.34 5.03 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.38 -179.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 8' ' ' ALA . 12.4 ptm180 -57.51 -36.34 71.42 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.82 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.441 ' N ' ' HG3' ' A' ' 7' ' ' ARG . . . -64.02 -41.41 97.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.717 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.775 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -63.62 -59.7 4.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.101 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.497 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -54.4 -34.39 61.2 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.219 0.533 . . . . 0.0 110.116 179.75 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.496 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 1.5 mm-40 -71.54 -40.37 70.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.402 178.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -44.96 89.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.711 178.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.54 HD12 HD12 ' A' ' 55' ' ' LEU . 1.9 tp -60.48 -29.99 69.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.159 179.256 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.897 HD22 ' O ' ' A' ' 19' ' ' LEU . 15.3 mt -74.47 -39.51 62.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.221 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -55.26 -55.34 32.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.958 0.409 . . . . 0.0 110.583 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.446 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 7.2 mp -71.05 -14.83 62.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.965 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.624 ' CD2' HD11 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -90.19 -8.74 50.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.678 -179.62 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.51 20.67 2.15 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.359 0.6 . . . . 0.0 109.903 -178.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.897 ' O ' HD22 ' A' ' 14' ' ' LEU . 3.7 tt -110.83 107.09 57.94 Favored Pre-proline 0 N--CA 1.449 -0.516 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.224 -179.088 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.478 ' O ' HD13 ' A' ' 23' ' ' LEU . 52.5 Cg_exo -51.45 166.7 0.46 Allowed 'Trans proline' 0 N--CA 1.464 -0.251 0 C-N-CA 122.4 2.067 . . . . 0.0 112.732 -179.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.06 -9.0 58.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.782 179.274 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -69.12 -36.17 77.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.105 -179.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.726 HD21 ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -102.32 10.95 38.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.27 179.719 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.722 ' HE3' HD21 ' A' ' 14' ' ' LEU . 62.8 t-105 -52.83 110.19 0.49 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.191 179.407 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 142.89 -24.11 2.28 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.871 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -80.24 101.47 8.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.69 0.281 . . . . 0.0 111.049 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.665 ' CE1' HG11 ' A' ' 66' ' ' VAL . 24.9 t80 -53.5 -51.83 61.56 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.179 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.452 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -54.75 -28.97 48.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.579 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.7 tpp180 -80.95 -54.71 5.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.665 0.269 . . . . 0.0 111.058 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.762 ' HA ' HD13 ' A' ' 19' ' ' LEU . 8.2 ptp -56.17 -45.77 79.57 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.122 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -63.61 -37.83 88.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.705 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.452 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -58.41 -45.27 88.73 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.708 179.672 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.471 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -76.71 -40.89 47.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.97 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.482 ' HB2' HD11 ' A' ' 17' ' ' LEU . 10.9 t80 -52.69 -45.86 67.01 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.89 0.376 . . . . 0.0 110.424 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.89 -34.96 72.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.724 179.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -66.24 -40.86 90.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.782 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 20.3 mm100 -83.13 -23.11 33.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.29 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 79.3 p -73.74 -32.46 63.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.875 0.369 . . . . 0.0 110.261 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.525 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 12.1 mt -70.83 -29.63 65.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.913 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.445 HD12 ' HG ' ' A' ' 41' ' ' LEU . 3.1 pp -89.92 -15.35 32.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.009 179.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.445 ' HG ' HD12 ' A' ' 40' ' ' LEU . 31.3 mt -95.17 -4.17 46.5 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.195 179.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.512 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 2.5 t-160 -67.38 126.95 93.28 Favored Pre-proline 0 CA--C 1.532 0.254 0 CA-C-N 116.673 -0.24 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.512 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 82.3 Cg_exo -44.05 -33.41 5.54 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.885 2.39 . . . . 0.0 113.346 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.54 -10.93 60.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.546 -179.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.525 ' HG3' ' O ' ' A' ' 39' ' ' LEU . 17.1 mmtt -113.17 31.12 6.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.893 0.377 . . . . 0.0 111.128 -179.495 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 65.47 19.54 66.83 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.791 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -92.6 170.24 32.2 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.523 -0.846 . . . . 0.0 112.566 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.524 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -90.08 137.12 32.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.817 0.341 . . . . 0.0 110.958 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -74.45 -33.66 62.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.59 -21.1 66.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.281 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.524 HD13 ' HB2' ' A' ' 48' ' ' SER . 0.5 OUTLIER -86.31 -50.58 6.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.011 -179.893 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.407 ' HE3' ' HA ' ' A' ' 52' ' ' MET . 5.8 tpt -57.18 -29.31 63.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.271 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.96 -32.22 39.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.935 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.04 -44.83 68.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.952 0.406 . . . . 0.0 110.387 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.624 HD11 ' CD2' ' A' ' 17' ' ' LEU . 9.2 tp -60.95 -42.8 98.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.822 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.22 -29.91 70.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.653 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.5 m -76.51 -36.24 57.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.777 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.626 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 16.6 mt -79.44 -22.31 44.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.559 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 64.1 t-105 -90.28 -21.98 21.81 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.63 -64.47 2.58 Favored Glycine 0 C--N 1.335 0.486 0 C-N-CA 121.037 -0.601 . . . . 0.0 111.749 179.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.706 HG23 HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -53.41 -51.69 61.79 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.052 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.549 ' N ' ' CG2' ' A' ' 61' ' ' THR . 1.7 t80 -43.42 -48.97 7.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 113.869 -1.514 . . . . 0.0 109.232 177.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.613 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 0.4 OUTLIER -53.86 -40.99 67.02 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 113.917 -1.492 . . . . 0.0 111.248 179.479 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 93.7 m -47.87 -37.27 13.65 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -85.34 -32.04 22.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.59 178.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.665 HG11 ' CE1' ' A' ' 27' ' ' PHE . 78.2 t . . . . . 0 C--N 1.332 -0.166 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.951 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.7 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 121.105 0.479 . . . . 0.0 111.776 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.8 p -89.97 -174.32 4.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.796 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -55.06 -41.15 71.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.347 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.6 -33.44 72.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.607 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.7 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 12.0 m-20 -78.04 -54.22 6.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.975 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.642 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -57.44 -33.84 68.35 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.019 0.437 . . . . 0.0 110.068 179.344 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -69.07 -34.56 75.34 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 178.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -35.28 78.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.776 179.034 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.577 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.7 tp -64.2 -36.35 83.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.884 179.171 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.885 HD22 ' O ' ' A' ' 19' ' ' LEU . 11.5 mt -63.21 -40.38 97.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.93 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -57.75 -55.56 33.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.711 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.523 ' HB2' HD13 ' A' ' 55' ' ' LEU . 1.2 mt -65.35 -15.25 62.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 179.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.613 ' O ' ' HB1' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -90.15 -10.71 43.51 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -179.536 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.22 19.35 2.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.405 0.621 . . . . 0.0 110.151 -178.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.885 ' O ' HD22 ' A' ' 14' ' ' LEU . 3.4 tt -110.47 110.99 57.66 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 115.21 -0.904 . . . . 0.0 109.801 -179.329 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.409 ' O ' HD13 ' A' ' 23' ' ' LEU . 86.7 Cg_exo -45.53 167.6 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.871 2.381 . . . . 0.0 113.567 -178.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.437 ' CG ' HD13 ' A' ' 14' ' ' LEU . 19.7 mtt180 -90.16 -3.78 57.67 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.215 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -79.79 -30.34 40.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.955 0.407 . . . . 0.0 111.394 -178.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.743 ' CD2' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -103.77 11.7 35.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.324 -179.868 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.515 ' HE3' HD21 ' A' ' 14' ' ' LEU . 31.0 t-105 -56.47 97.4 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.907 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 161.32 -28.85 0.3 Allowed Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.687 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.4 ' HB3' ' HB2' ' A' ' 29' ' ' ARG . 4.2 t70 -81.28 94.66 6.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.68 0.276 . . . . 0.0 111.123 -179.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.741 ' CE1' HG11 ' A' ' 66' ' ' VAL . 30.3 t80 -47.93 -35.6 10.94 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.306 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.544 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -64.55 -37.05 93.91 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.838 -0.696 . . . . 0.0 113.03 -179.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.4 ' HB2' ' HB3' ' A' ' 26' ' ' ASP . 28.4 mtp180 -80.33 -43.36 21.33 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -179.305 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.878 ' HA ' HD13 ' A' ' 19' ' ' LEU . 12.6 ptp -64.99 -48.62 73.34 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 121.22 -0.192 . . . . 0.0 111.446 -179.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -64.3 -34.4 78.05 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.829 -0.349 . . . . 0.0 110.181 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.544 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.6 OUTLIER -59.25 -50.09 75.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.093 0.473 . . . . 0.0 109.903 179.194 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.613 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -64.31 -42.62 96.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.65 179.481 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.58 ' HB2' HD11 ' A' ' 17' ' ' LEU . 12.3 t80 -50.64 -42.25 56.15 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.827 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -67.73 -41.87 82.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.729 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -60.94 -34.81 75.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.637 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.477 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 64.7 mm-40 -88.69 -20.89 24.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.275 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.6 -27.96 63.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.873 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 69.5 mt -83.91 -26.93 28.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.463 -179.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.441 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 4.5 pp -90.03 -19.59 24.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.76 0.314 . . . . 0.0 110.915 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.6 mt -90.69 9.95 27.77 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.982 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.529 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 24.6 t-80 -88.42 142.55 31.41 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.049 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.529 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 25.4 Cg_endo -63.04 -8.94 15.21 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.499 2.132 . . . . 0.0 113.198 -179.28 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -92.26 -24.91 18.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.77 0.319 . . . . 0.0 110.641 179.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.432 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -105.2 30.63 5.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.766 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.21 72.37 0.68 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.516 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -152.39 173.24 31.52 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.452 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.13 145.23 25.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.82 0.343 . . . . 0.0 110.988 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.6 p-80 -82.54 -40.15 21.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.416 ' O ' ' HG3' ' A' ' 53' ' ' GLN . . . -58.67 -19.02 35.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.472 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 51' ' ' LEU . 7.7 mt -82.68 -48.38 10.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.829 0.347 . . . . 0.0 111.012 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -32.54 50.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.057 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.423 ' O ' ' OG ' ' A' ' 57' ' ' SER . 0.0 OUTLIER -84.49 -31.74 24.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.591 179.646 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 1.0 OUTLIER -70.07 -43.01 72.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.938 0.399 . . . . 0.0 110.784 179.614 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.612 HD11 ' CD2' ' A' ' 17' ' ' LEU . 9.0 tp -70.11 -39.46 75.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.699 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -60.32 -34.78 74.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.6 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 53' ' ' GLN . 0.8 OUTLIER -69.93 -28.21 65.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 179.888 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.522 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 1.9 mt -86.74 -28.92 22.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.091 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.603 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 69.4 t-105 -89.72 -18.38 26.5 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.4 -64.56 2.25 Favored Glycine 0 C--N 1.335 0.507 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.995 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.54 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -53.16 -49.7 66.1 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 179.054 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.559 ' O ' HG23 ' A' ' 66' ' ' VAL . 5.5 t80 -44.43 -52.51 7.75 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 113.473 -1.694 . . . . 0.0 109.183 177.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.603 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 0.9 OUTLIER -56.9 -42.44 79.91 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.476 -1.238 . . . . 0.0 111.045 179.079 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.443 ' HB ' ' O ' ' A' ' 61' ' ' THR . 87.0 m -49.07 -36.5 18.61 Favored 'General case' 0 CA--C 1.521 -0.155 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.051 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -85.44 -30.2 23.73 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.459 178.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.741 HG11 ' CE1' ' A' ' 27' ' ' PHE . 70.5 t . . . . . 0 N--CA 1.456 -0.14 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.162 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.77 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 1.5 pt? . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.953 0.406 . . . . 0.0 110.829 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 p -84.71 -177.25 6.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.547 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.0 ptt180 -55.64 -35.02 65.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.08 -36.92 83.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.77 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 8.6 m-20 -68.55 -57.4 5.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.486 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -58.3 -39.29 78.94 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.011 0.434 . . . . 0.0 110.195 -179.904 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -67.26 -36.24 81.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.488 178.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.914 ' HD2' HD11 ' A' ' 58' ' ' LEU . 14.8 ttm180 -68.03 -33.74 75.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.711 178.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.54 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.9 tp -64.89 -34.72 79.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.686 178.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.944 HD22 ' O ' ' A' ' 19' ' ' LEU . 12.1 mt -65.17 -41.13 94.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -57.84 -43.74 86.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.47 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.411 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 7.1 mp -80.15 -13.87 58.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.85 179.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.751 ' O ' ' HB1' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -90.25 -9.16 49.02 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.772 -179.628 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.78 19.07 3.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.303 0.573 . . . . 0.0 109.956 -178.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.944 ' O ' HD22 ' A' ' 14' ' ' LEU . 3.2 tt -112.15 110.82 53.5 Favored Pre-proline 0 N--CA 1.449 -0.489 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.804 -179.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.442 ' O ' HD13 ' A' ' 23' ' ' LEU . 75.2 Cg_exo -47.02 166.85 0.08 OUTLIER 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.572 2.181 . . . . 0.0 112.997 -179.001 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.18 -2.98 58.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.422 179.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.94 -28.35 35.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.788 0.328 . . . . 0.0 111.185 -179.26 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.681 HD21 ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -105.1 11.48 33.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.229 179.92 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.589 ' HE3' HD21 ' A' ' 14' ' ' LEU . 44.0 t-105 -55.63 96.47 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.996 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 162.29 -28.98 0.27 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.627 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.439 ' HB3' ' HB2' ' A' ' 29' ' ' ARG . 5.3 t0 -78.57 94.88 5.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.825 0.345 . . . . 0.0 110.919 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.741 ' CE1' HG11 ' A' ' 66' ' ' VAL . 44.6 t80 -49.51 -39.85 35.65 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.722 -179.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.15 -32.58 82.97 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.814 -0.707 . . . . 0.0 113.391 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.545 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -82.36 -46.46 13.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.725 0.263 . . . . 0.0 111.663 -179.35 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.791 ' HA ' HD13 ' A' ' 19' ' ' LEU . 14.5 ptp -58.05 -46.49 85.29 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.599 0.238 . . . . 0.0 110.863 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -62.01 -43.86 97.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.855 0.36 . . . . 0.0 110.182 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -59.45 -32.98 70.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.999 179.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.751 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -78.9 -42.78 26.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.316 179.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.447 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 13.4 t80 -53.2 -47.69 68.7 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.465 179.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.61 -37.33 68.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.54 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.4 -35.65 72.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.431 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 82.6 mm-40 -90.13 -20.95 22.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.022 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.0 m -69.25 -28.42 66.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.397 179.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.407 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 5.0 mt -73.93 -32.09 63.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.052 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.729 HD12 ' HG ' ' A' ' 41' ' ' LEU . 2.7 pp -87.67 -15.89 35.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.425 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.729 ' HG ' HD12 ' A' ' 40' ' ' LEU . 20.1 mt -95.15 3.14 55.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.403 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -76.93 130.03 77.01 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-O 120.806 0.336 . . . . 0.0 111.006 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_exo -43.82 -38.7 9.99 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.225 2.616 . . . . 0.0 113.875 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.18 -13.73 20.16 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 -179.195 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 39' ' ' LEU . 7.7 mmtm -103.75 31.0 4.69 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.832 0.349 . . . . 0.0 110.937 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 61.74 17.52 54.44 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.856 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -93.46 179.48 38.94 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.398 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.808 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.7 OUTLIER -90.03 145.78 24.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.789 0.328 . . . . 0.0 110.913 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -83.32 -35.29 25.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.934 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.36 -32.56 74.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.095 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.808 HD13 ' HB2' ' A' ' 48' ' ' SER . 6.1 mp -59.89 -56.49 21.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.68 -31.55 64.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -64.18 -29.58 70.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.81 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -43.01 35.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.52 HD11 ' CD2' ' A' ' 17' ' ' LEU . 7.7 tp -55.66 -46.44 77.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.992 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -59.23 -31.08 68.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.7 m -77.35 -53.23 7.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.933 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.914 HD11 ' HD2' ' A' ' 12' ' ' ARG . 11.1 mt -62.39 -28.34 69.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.059 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.53 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 63.2 t-105 -90.1 -24.57 21.08 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 179.507 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.462 ' HA2' ' NZ ' ' A' ' 63' ' ' LYS . . . -69.47 -65.85 2.44 Favored Glycine 0 C--N 1.335 0.508 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.962 179.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.718 HG23 HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -50.5 -50.15 53.63 Favored 'General case' 0 CA--C 1.513 -0.475 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 178.765 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.537 ' N ' ' CG2' ' A' ' 61' ' ' THR . 7.5 t80 -45.65 -51.35 12.39 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 113.348 -1.751 . . . . 0.0 109.359 177.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.565 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 0.2 OUTLIER -55.85 -39.05 70.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.307 -1.315 . . . . 0.0 111.333 179.747 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.438 ' HB ' ' O ' ' A' ' 61' ' ' THR . 89.0 m -47.32 -38.69 13.22 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 121.395 0.617 . . . . 0.0 109.481 179.402 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -85.72 -31.56 22.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.859 178.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.741 HG11 ' CE1' ' A' ' 27' ' ' PHE . 62.9 t . . . . . 0 C--O 1.23 0.066 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.049 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.824 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.5 pt? . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.868 0.366 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 p -85.4 -174.07 5.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.403 -179.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.9 mtt180 -57.54 -38.57 74.93 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.689 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.03 -40.81 98.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.111 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.824 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 4.6 m-20 -64.81 -59.09 4.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.851 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.459 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -57.44 -37.9 73.57 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.985 0.422 . . . . 0.0 110.367 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -64.9 -38.11 89.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.275 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 -75.19 -34.02 61.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.141 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.631 ' O ' HD13 ' A' ' 17' ' ' LEU . 2.3 tp -62.95 -35.0 78.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.137 179.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.715 HD22 ' O ' ' A' ' 19' ' ' LEU . 25.4 mt -71.62 -41.54 68.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.863 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -57.04 -28.96 62.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.796 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.2 mt -89.51 -24.32 21.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.09 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.721 HD11 HD11 ' A' ' 55' ' ' LEU . 8.6 mp -87.51 -2.51 58.66 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.45 19.79 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.299 0.571 . . . . 0.0 109.902 -178.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.874 HD13 ' HA ' ' A' ' 30' ' ' MET . 3.0 tt -109.87 109.49 59.32 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.98 -179.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.414 ' O ' HD13 ' A' ' 23' ' ' LEU . 78.6 Cg_exo -46.63 169.29 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.819 2.346 . . . . 0.0 113.235 -179.071 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -90.04 -10.63 44.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.789 179.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -32.51 69.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.377 -178.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.817 HD21 HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -102.03 10.0 39.94 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.387 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.649 ' HE3' HD21 ' A' ' 14' ' ' LEU . 69.4 t-105 -50.55 108.26 0.22 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.302 179.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 143.32 -23.93 2.21 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.959 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.427 ' HB3' ' HB2' ' A' ' 29' ' ' ARG . 15.6 t0 -78.1 93.14 4.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.77 0.319 . . . . 0.0 111.138 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.467 ' HA ' ' HG2' ' A' ' 30' ' ' MET . 20.4 t80 -51.75 -40.97 61.21 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.936 -179.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.01 -37.71 93.42 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 113.44 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.427 ' HB2' ' HB3' ' A' ' 26' ' ' ASP . 2.1 mmt-85 -78.63 -37.12 42.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.73 0.265 . . . . 0.0 111.487 -179.349 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.874 ' HA ' HD13 ' A' ' 19' ' ' LEU . 12.0 ptp -68.58 -45.97 70.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.641 0.258 . . . . 0.0 110.824 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -61.02 -37.34 82.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.901 0.381 . . . . 0.0 110.306 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.98 -46.52 88.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.337 179.392 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.495 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -72.69 -32.0 65.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.829 179.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.484 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 14.1 t80 -63.79 -44.79 92.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.628 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.3 -42.56 96.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.857 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -65.3 -30.94 71.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.429 ' HG3' ' HA ' ' A' ' 17' ' ' LEU . 98.5 mm-40 -87.46 -22.12 25.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.055 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.5 m -76.03 -30.68 58.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.472 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.89 -35.74 69.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.905 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 pp -84.15 -13.77 51.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.197 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.731 HD22 ' HB3' ' A' ' 51' ' ' LEU . 37.0 mt -93.35 1.97 56.73 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 120.776 0.322 . . . . 0.0 110.922 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.529 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 4.8 t-80 -78.7 140.01 58.77 Favored Pre-proline 0 CA--C 1.531 0.217 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.367 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.529 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 20.2 Cg_endo -62.33 -14.96 41.83 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.82 2.346 . . . . 0.0 113.856 -178.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.69 -20.78 28.87 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.984 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.434 ' HD3' ' HB3' ' A' ' 42' ' ' HIS . 0.2 OUTLIER -103.12 28.66 6.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.948 0.404 . . . . 0.0 110.62 179.625 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.43 30.16 60.8 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.468 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 43' ' ' PRO . . . -105.73 163.06 14.01 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.979 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.54 158.6 16.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.992 0.425 . . . . 0.0 111.234 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -78.18 -49.65 13.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.628 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.432 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -55.6 -36.5 67.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.535 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.731 ' HB3' HD22 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -70.33 -48.56 55.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.919 0.39 . . . . 0.0 110.708 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.404 ' HE3' HD23 ' A' ' 55' ' ' LEU . 7.5 tpt -57.84 -48.93 78.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.251 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -69.16 -32.66 72.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.211 -179.638 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 1.9 mt-10 -62.28 -41.38 98.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.958 0.408 . . . . 0.0 110.521 179.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.721 HD11 HD11 ' A' ' 17' ' ' LEU . 37.2 tp -64.28 -51.52 63.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.935 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.11 -37.78 81.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.719 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.6 -37.95 88.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.786 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.613 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 21.0 mt -82.52 -23.58 34.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.563 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 71.1 t-105 -89.77 -18.24 26.69 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.96 -61.08 2.75 Favored Glycine 0 C--N 1.335 0.484 0 C-N-CA 120.995 -0.621 . . . . 0.0 111.702 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.561 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -55.76 -50.43 70.45 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 178.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.561 ' N ' ' CG2' ' A' ' 61' ' ' THR . 1.5 t80 -44.35 -49.1 9.69 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 113.406 -1.725 . . . . 0.0 109.481 177.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.586 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 1.8 ttmt -59.64 -34.97 73.48 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 114.237 -1.347 . . . . 0.0 111.131 179.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.1 m -47.23 -37.8 11.1 Favored 'General case' 0 CA--C 1.521 -0.147 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -85.61 -33.3 21.68 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.678 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.586 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 78.5 t . . . . . 0 C--O 1.232 0.163 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.747 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.821 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.179 0 CA-C-O 121.331 0.586 . . . . 0.0 112.308 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.44 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 90.0 p -90.57 -177.32 5.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.136 -179.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.418 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . 9.6 mtt180 -54.65 -35.8 63.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.919 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.06 -36.06 77.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.615 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.821 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 17.4 m-20 -84.89 -46.03 11.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.261 -179.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.724 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -62.39 -35.36 78.94 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.161 179.671 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.44 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 7.7 mm-40 -68.74 -34.46 75.64 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -60.86 -32.54 71.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.833 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.635 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.7 tp -68.43 -36.25 78.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.918 179.243 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.841 HD22 ' O ' ' A' ' 19' ' ' LEU . 14.2 mt -68.53 -38.44 80.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.064 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.79 -50.46 70.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.857 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.766 HD21 HD23 ' A' ' 51' ' ' LEU . 1.9 mt -75.28 -15.66 60.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.094 179.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.635 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.3 mm? -90.16 -8.3 51.55 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.787 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.37 20.77 1.5 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.34 0.59 . . . . 0.0 110.229 -178.625 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.841 ' O ' HD22 ' A' ' 14' ' ' LEU . 3.6 tt -107.89 107.64 60.5 Favored Pre-proline 0 N--CA 1.449 -0.516 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.813 -179.681 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.418 ' O ' HD13 ' A' ' 23' ' ' LEU . 88.0 Cg_exo -47.22 168.31 0.07 OUTLIER 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.742 2.295 . . . . 0.0 113.143 -178.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.87 -5.01 58.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.89 179.384 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -75.71 -33.99 60.35 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.152 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.714 HD21 ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -104.4 12.96 32.8 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.346 -179.743 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.674 ' HE3' HD21 ' A' ' 14' ' ' LEU . 54.4 t-105 -55.89 105.71 0.21 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.037 179.348 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 150.33 -21.26 1.08 Allowed Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.91 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.444 ' O ' ' HG2' ' A' ' 30' ' ' MET . 21.6 t0 -84.35 108.44 17.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.663 0.231 . . . . 0.0 111.038 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.785 ' CE1' HG11 ' A' ' 66' ' ' VAL . 12.3 t80 -61.42 -40.18 93.49 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.699 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.59 -33.22 84.16 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.774 -0.727 . . . . 0.0 113.244 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.447 ' HB3' HD11 ' A' ' 19' ' ' LEU . 40.8 mtt-85 -82.99 -41.93 18.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.86 0.33 . . . . 0.0 111.669 -179.298 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.565 ' HA ' HD13 ' A' ' 19' ' ' LEU . 14.2 ptp -65.98 -49.09 69.07 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 121.323 -0.151 . . . . 0.0 111.111 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -63.3 -40.54 97.63 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.499 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 7.0 tp60 -60.51 -38.95 86.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.946 179.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.19 -42.35 55.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.595 179.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.479 ' CD2' ' CG ' ' A' ' 59' ' ' TRP . 11.9 t80 -51.77 -39.33 58.41 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.706 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -74.25 -42.84 59.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.975 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.499 ' HG2' ' O ' ' A' ' 32' ' ' GLN . 27.2 mm-40 -65.65 -31.93 73.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.628 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.89 ' OE1' HD21 ' A' ' 40' ' ' LEU . 97.8 mm-40 -87.31 -22.69 24.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.02 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.41 -22.07 62.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.439 179.096 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mt -83.75 -32.15 25.59 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.253 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.89 HD21 ' OE1' ' A' ' 37' ' ' GLN . 4.3 pp -85.19 -10.45 56.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.3 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.459 HD12 ' O ' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -95.09 -10.13 31.63 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.795 0.331 . . . . 0.0 110.952 179.462 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.559 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 2.4 t-80 -58.91 145.36 79.64 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.405 179.27 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.552 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 38.5 Cg_endo -67.3 -8.57 22.4 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.355 2.037 . . . . 0.0 112.755 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.435 ' HB3' ' HD2' ' A' ' 45' ' ' LYS . 2.2 t70 -88.48 -22.08 23.84 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 120.654 0.264 . . . . 0.0 110.853 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.559 ' HD3' ' HB3' ' A' ' 42' ' ' HIS . 0.2 OUTLIER -106.72 29.56 6.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.834 0.349 . . . . 0.0 110.639 179.594 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.48 66.27 2.41 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.433 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -137.29 161.91 25.31 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.413 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.689 ' HB2' HD13 ' A' ' 51' ' ' LEU . 1.1 m -90.18 133.81 34.67 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.754 0.311 . . . . 0.0 110.805 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.438 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 5.9 p80 -69.34 -28.63 66.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.892 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.45 ' HA ' HE21 ' A' ' 53' ' ' GLN . . . -68.58 -27.74 66.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.554 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.766 HD23 HD21 ' A' ' 16' ' ' LEU . 1.7 mp -78.27 -50.29 12.12 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.983 0.42 . . . . 0.0 111.011 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.93 -51.62 63.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.674 -179.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.45 HE21 ' HA ' ' A' ' 50' ' ' ALA . 17.7 pt20 -64.03 -26.88 68.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.631 0.253 . . . . 0.0 111.151 -179.512 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -73.44 -39.07 65.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.09 0.471 . . . . 0.0 110.451 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.454 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 13.6 tp -58.04 -42.28 85.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.267 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -62.05 -29.06 70.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.04 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.1 t -76.72 -28.4 55.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.207 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.637 HD23 HD23 ' A' ' 5' ' ' LEU . 17.4 mt -89.84 -31.45 17.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.166 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.675 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 66.0 t-105 -88.07 -17.05 31.94 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 179.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.42 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -78.95 -59.66 2.73 Favored Glycine 0 C--N 1.338 0.676 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.156 179.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.548 HG21 ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -57.08 -50.59 72.31 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 179.221 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.547 ' N ' ' CG2' ' A' ' 61' ' ' THR . 4.7 t80 -43.55 -51.09 7.02 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 113.359 -1.746 . . . . 0.0 109.311 177.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.675 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 1.2 ttmt -55.76 -39.45 71.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.191 -1.368 . . . . 0.0 111.162 179.304 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.428 ' HB ' ' O ' ' A' ' 61' ' ' THR . 91.5 m -48.25 -37.58 16.47 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.191 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -85.2 -29.94 24.3 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.793 178.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.785 HG11 ' CE1' ' A' ' 27' ' ' PHE . 70.3 t . . . . . 0 N--CA 1.453 -0.308 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.949 179.784 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.808 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER . . . . . 0 CA--C 1.522 -0.133 0 CA-C-O 121.382 0.611 . . . . 0.0 112.292 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.425 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 27.0 p -90.61 -174.26 4.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.436 -179.44 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.424 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 7.5 mtt180 -58.07 -39.17 77.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.656 179.893 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.37 -49.13 76.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.303 179.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.808 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 21.8 m-20 -64.82 -57.22 9.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.952 -179.836 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.49 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -54.12 -31.76 53.11 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.999 0.428 . . . . 0.0 110.009 179.53 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 8.7 mt-10 -65.9 -38.74 89.51 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.583 178.502 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -62.46 -30.59 71.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.905 179.195 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.741 ' O ' HD23 ' A' ' 17' ' ' LEU . 3.1 tp -70.73 -31.62 68.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.987 179.149 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.924 HD22 ' O ' ' A' ' 19' ' ' LEU . 11.7 mt -72.96 -41.12 64.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.988 179.748 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -54.61 -47.03 73.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.017 0.437 . . . . 0.0 110.526 179.667 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.582 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 18.1 mt -77.58 -15.51 59.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.074 179.685 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.742 ' CD2' HD11 ' A' ' 55' ' ' LEU . 1.3 mm? -90.44 -7.18 53.76 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -179.718 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 52.92 20.29 1.6 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.32 0.581 . . . . 0.0 110.292 -178.879 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.924 ' O ' HD22 ' A' ' 14' ' ' LEU . 3.2 tt -109.57 109.35 59.92 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.142 -179.204 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.414 ' O ' HD13 ' A' ' 23' ' ' LEU . 86.0 Cg_exo -47.99 167.92 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.752 2.302 . . . . 0.0 113.672 -178.695 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.439 ' HG3' HD12 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -88.65 -3.26 58.83 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.549 179.924 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.16 -30.6 30.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.992 0.425 . . . . 0.0 111.05 -178.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.703 ' O ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -106.29 13.12 29.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.479 -179.892 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.625 ' HE3' HD21 ' A' ' 14' ' ' LEU . 54.8 t-105 -53.74 96.79 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.168 179.516 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 159.16 -25.02 0.33 Allowed Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.828 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -77.26 97.28 4.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.8 0.333 . . . . 0.0 111.169 -179.832 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.722 ' CE1' HG11 ' A' ' 66' ' ' VAL . 24.9 t80 -52.48 -37.18 56.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.938 0.399 . . . . 0.0 111.473 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.451 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -63.87 -34.73 90.73 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.874 -0.679 . . . . 0.0 113.477 -179.277 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -81.23 -44.15 18.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.866 0.333 . . . . 0.0 111.721 -179.167 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.651 ' HA ' HD13 ' A' ' 19' ' ' LEU . 14.8 ptp -63.08 -46.32 87.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.63 0.252 . . . . 0.0 111.044 -179.875 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -64.86 -35.45 81.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.777 0.322 . . . . 0.0 110.509 179.748 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.451 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -61.86 -45.48 93.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 0.0 109.916 179.378 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.449 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -71.33 -43.33 67.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.577 179.493 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.441 ' HB2' HD11 ' A' ' 17' ' ' LEU . 13.1 t80 -50.76 -50.27 56.22 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-O 120.958 0.408 . . . . 0.0 110.59 179.43 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -66.05 -29.77 70.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.944 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -72.43 -51.02 22.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.106 0.479 . . . . 0.0 110.812 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.582 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 23.0 mm100 -71.39 -17.79 62.39 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.345 -179.65 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.6 m -69.52 -31.89 70.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.988 0.423 . . . . 0.0 110.367 179.253 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.7 mt -69.61 -34.0 73.47 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.119 -179.862 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 4.4 pp -87.08 -15.7 37.76 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.625 0.25 . . . . 0.0 111.278 179.912 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.634 HD22 ' HB3' ' A' ' 51' ' ' LEU . 60.2 mt -95.11 6.16 49.83 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 120.751 0.31 . . . . 0.0 110.853 179.33 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.582 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 20.4 t60 -89.64 143.38 30.34 Favored Pre-proline 0 C--N 1.332 -0.179 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.633 179.838 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.582 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 33.4 Cg_endo -65.33 -10.26 25.31 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.708 2.272 . . . . 0.0 113.494 -179.14 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -85.47 -18.66 32.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.682 0.277 . . . . 0.0 110.945 179.58 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt -116.3 30.93 7.04 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.794 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.48 32.52 57.62 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.706 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -105.8 161.3 14.5 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.533 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.799 ' CB ' HD13 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -90.25 147.38 23.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.701 0.286 . . . . 0.0 110.878 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -73.41 -43.15 61.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.566 179.706 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.68 -30.07 71.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.778 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.799 HD13 ' CB ' ' A' ' 48' ' ' SER . 5.8 mp -67.24 -49.44 64.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.698 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -25.85 68.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.832 179.588 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -73.3 -33.78 65.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.91 -54.21 38.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.921 -179.89 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.742 HD11 ' CD2' ' A' ' 17' ' ' LEU . 8.9 tp -58.01 -45.7 86.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.146 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.73 -39.68 81.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.962 -179.837 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 41.6 t -70.11 -46.88 63.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.898 0.38 . . . . 0.0 110.855 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.565 HD23 ' CD2' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -69.83 -25.57 63.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 179.86 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.625 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 70.6 t-105 -89.61 -11.69 41.92 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.16 179.49 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -79.49 -63.33 2.04 Favored Glycine 0 C--N 1.337 0.6 0 C-N-CA 120.917 -0.659 . . . . 0.0 111.735 179.303 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.54 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -57.07 -51.14 70.47 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 178.832 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.54 ' N ' ' CG2' ' A' ' 61' ' ' THR . 4.1 t80 -42.98 -50.05 5.92 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 113.675 -1.602 . . . . 0.0 109.36 178.033 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.625 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 4.0 ttmt -55.08 -43.78 74.24 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.45 -1.25 . . . . 0.0 111.323 179.417 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.5 m -47.14 -36.64 8.74 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.298 0.57 . . . . 0.0 109.551 179.322 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -85.43 -31.38 22.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.397 178.293 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.722 HG11 ' CE1' ' A' ' 27' ' ' PHE . 51.6 t . . . . . 0 C--O 1.231 0.122 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.812 179.538 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.797 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.2 pt? . . . . . 0 N--CA 1.461 0.109 0 CA-C-O 121.038 0.447 . . . . 0.0 111.325 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.3 p -90.33 -172.18 3.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.353 -179.337 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.6 mmt85 -59.94 -36.45 77.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.349 179.562 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.82 -42.59 99.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.161 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.797 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 40.7 m-20 -63.1 -59.07 5.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.109 -179.902 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.47 ' N ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -59.55 -38.61 81.53 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.77 0.319 . . . . 0.0 110.517 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.419 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 5.2 tp10 -65.18 -27.2 68.53 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.416 179.22 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.9 tpp180 -85.29 -29.48 24.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.39 179.411 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.432 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.6 tp -70.79 -34.86 72.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.185 179.439 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.909 HD22 ' O ' ' A' ' 19' ' ' LEU . 12.8 mt -70.17 -38.65 75.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.837 179.708 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.29 -41.07 83.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.514 179.732 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.577 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 0.4 OUTLIER -79.71 -19.46 48.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.984 179.927 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.523 HD12 ' HB3' ' A' ' 33' ' ' ALA . 1.3 mm? -90.25 -6.24 55.44 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -179.804 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.86 21.47 1.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.428 0.632 . . . . 0.0 109.874 -178.727 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.909 ' O ' HD22 ' A' ' 14' ' ' LEU . 3.4 tt -109.74 110.87 59.24 Favored Pre-proline 0 N--CA 1.449 -0.487 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.661 -179.054 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.405 ' O ' HD13 ' A' ' 23' ' ' LEU . 79.3 Cg_exo -48.72 169.11 0.09 OUTLIER 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.598 2.199 . . . . 0.0 113.243 -178.863 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.469 ' HG2' HD12 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -88.96 -13.05 39.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.741 179.253 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -65.92 -36.29 82.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.071 -179.459 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.856 HD21 HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -100.77 7.89 43.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.159 179.789 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.624 ' HE3' HD21 ' A' ' 14' ' ' LEU . 60.5 t-105 -50.66 99.71 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.174 179.587 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.21 -23.93 0.59 Allowed Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.939 179.857 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.417 ' O ' ' HG2' ' A' ' 30' ' ' MET . 30.4 t0 -79.0 85.91 4.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.665 0.269 . . . . 0.0 111.181 -179.78 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.683 ' CD1' HG11 ' A' ' 66' ' ' VAL . 16.6 t80 -45.0 -40.27 6.33 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.762 -179.84 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.37 -37.8 95.39 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.855 -0.688 . . . . 0.0 113.266 -179.429 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -50.06 17.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.66 0.267 . . . . 0.0 111.53 -179.399 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.682 ' HA ' HD13 ' A' ' 19' ' ' LEU . 12.4 ptp -57.78 -48.27 80.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.324 -179.504 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -57.85 -37.59 74.16 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.93 0.395 . . . . 0.0 110.158 179.568 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -41.92 98.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.968 179.138 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.523 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -72.57 -38.97 67.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.606 179.425 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.4 ' HB2' HD11 ' A' ' 17' ' ' LEU . 10.1 t80 -54.0 -39.59 66.21 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.491 179.642 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.416 ' HA ' ' HB2' ' A' ' 38' ' ' SER . 0.9 OUTLIER -73.51 -35.84 65.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.678 179.756 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -60.22 -45.28 93.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.987 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.577 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 18.7 mp0 -83.87 -20.71 32.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.101 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.416 ' HB2' ' HA ' ' A' ' 35' ' ' LYS . 1.0 OUTLIER -72.42 -26.76 61.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.341 179.328 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.6 mt -72.57 -31.43 65.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.381 -179.72 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.9 pp -88.62 -16.5 32.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.676 0.274 . . . . 0.0 110.934 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.7 mt -95.02 1.89 55.22 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 120.863 0.363 . . . . 0.0 110.611 178.848 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.54 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 5.8 t-80 -81.55 134.5 50.99 Favored Pre-proline 0 CA--C 1.529 0.155 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.357 179.629 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.54 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 13.0 Cg_endo -57.05 -16.94 22.73 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.665 2.243 . . . . 0.0 113.277 -179.304 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.37 -20.02 32.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.577 0.227 . . . . 0.0 111.235 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -111.17 30.75 6.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.92 0.39 . . . . 0.0 110.672 179.839 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.05 49.56 74.16 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.596 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -112.28 -178.68 19.87 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.392 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.16 140.1 30.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.331 . . . . 0.0 110.861 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.48 -42.62 18.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.52 -31.68 72.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.444 -179.874 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.1 mt -70.71 -49.31 48.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.29 -34.52 33.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.211 -179.89 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.6 mm100 -74.9 -30.54 61.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.79 179.655 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.38 -57.23 8.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.79 179.821 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.449 HD11 HD23 ' A' ' 17' ' ' LEU . 11.3 tp -58.18 -33.22 69.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -62.21 -48.48 79.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.588 179.663 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 57.3 p -66.12 -45.47 80.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.587 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 13.5 mt -68.24 -27.44 66.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.24 -179.784 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.521 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 65.5 t-105 -90.3 -15.76 30.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.276 179.886 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.417 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -80.56 -63.81 1.89 Allowed Glycine 0 C--N 1.336 0.544 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.833 179.138 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.693 HG23 HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -52.91 -49.6 65.61 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 178.856 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.515 ' N ' ' CG2' ' A' ' 61' ' ' THR . 6.7 t80 -44.39 -52.29 7.85 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 113.405 -1.725 . . . . 0.0 109.433 178.023 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.602 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 2.6 ttmt -55.09 -40.67 70.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.124 -1.398 . . . . 0.0 111.205 179.564 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.459 ' HB ' ' O ' ' A' ' 61' ' ' THR . 96.5 m -49.99 -36.19 27.39 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 178.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -85.22 -31.72 23.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.157 -0.928 . . . . 0.0 109.505 178.265 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.683 HG11 ' CD1' ' A' ' 27' ' ' PHE . 72.8 t . . . . . 0 N--CA 1.456 -0.174 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.917 -179.872 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.793 HD13 ' HB3' ' A' ' 10' ' ' LYS . 0.8 OUTLIER . . . . . 0 CA--C 1.523 -0.089 0 CA-C-O 120.963 0.411 . . . . 0.0 111.483 . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.4 p -80.67 -178.16 6.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.31 179.673 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 7' ' ' ARG . 1.0 OUTLIER -56.32 -38.92 71.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.903 179.955 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.24 -42.44 83.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.458 -179.82 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.779 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 47.2 m-20 -67.01 -52.29 44.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.242 -179.662 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.793 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.5 OUTLIER -57.26 -36.57 71.13 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.969 0.414 . . . . 0.0 110.043 179.428 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.421 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 2.0 mt-10 -69.98 -30.27 67.56 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.771 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.448 HH21 HD11 ' A' ' 58' ' ' LEU . 25.7 ttp180 -67.85 -42.62 81.08 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.59 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.486 HD13 ' HB3' ' A' ' 58' ' ' LEU . 1.5 tp -53.39 -36.36 61.36 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.911 178.921 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.654 HD22 ' O ' ' A' ' 19' ' ' LEU . 13.7 mt -64.63 -50.66 66.24 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.31 179.912 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -48.97 -31.7 7.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.326 -179.476 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 mp -82.8 -35.95 25.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.94 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.774 HD11 HD11 ' A' ' 55' ' ' LEU . 9.1 mp -78.19 3.04 16.24 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -179.808 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.85 18.62 3.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.431 0.634 . . . . 0.0 109.765 -178.72 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.807 HD13 ' HA ' ' A' ' 30' ' ' MET . 5.5 tt -114.6 104.67 54.26 Favored Pre-proline 0 N--CA 1.448 -0.526 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.08 -179.206 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.54 ' C ' HD13 ' A' ' 14' ' ' LEU . 38.6 Cg_exo -58.08 173.91 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.805 2.337 . . . . 0.0 113.346 -178.673 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.87 -11.99 54.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.776 179.029 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.09 -28.06 69.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.961 -179.49 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.765 HD21 ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -116.32 13.02 15.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.198 179.947 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.599 ' HE3' HD11 ' A' ' 14' ' ' LEU . 44.3 t-105 -52.85 104.89 0.1 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.131 179.312 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 151.19 -32.33 0.95 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.809 179.897 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -73.91 88.24 1.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 0.0 110.978 -179.815 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.499 ' CE1' HG11 ' A' ' 66' ' ' VAL . 16.0 t80 -46.95 -43.12 18.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.934 -179.69 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.22 -32.94 68.48 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.876 -0.678 . . . . 0.0 113.264 -179.36 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.01 -46.76 12.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.801 0.3 . . . . 0.0 111.634 -179.254 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.807 ' HA ' HD13 ' A' ' 19' ' ' LEU . 13.7 ptp -61.98 -44.53 96.55 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.063 -179.805 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -63.7 -43.27 97.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.864 0.364 . . . . 0.0 110.4 179.574 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -60.85 -42.06 97.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.329 179.412 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.441 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -73.82 -31.44 63.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.577 179.634 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.494 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 7.9 t80 -62.39 -46.74 87.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.449 179.6 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.98 -40.6 95.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.83 179.864 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -60.45 -29.76 69.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.715 179.878 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.417 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 9.8 mm-40 -83.96 -30.82 25.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.401 ' HA ' ' HE3' ' A' ' 52' ' ' MET . 36.8 m -57.63 -26.29 61.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.132 179.854 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.65 -43.92 21.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.471 -179.56 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.1 pp -81.63 -7.55 59.6 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -179.602 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.924 HD22 ' HB3' ' A' ' 51' ' ' LEU . 80.3 mt -91.49 5.78 48.14 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.856 0.36 . . . . 0.0 110.988 179.335 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.52 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 7.1 t-80 -89.99 131.97 37.62 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.285 179.81 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.52 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 11.7 Cg_endo -55.77 -14.99 11.8 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.478 2.119 . . . . 0.0 112.716 -179.815 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -80.1 -22.34 42.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.812 0.339 . . . . 0.0 111.066 179.704 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -109.02 30.06 6.92 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.847 -179.909 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 69.07 45.03 63.88 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.564 179.859 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -122.17 168.04 14.75 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.551 179.867 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.76 ' CB ' HD13 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -90.12 158.2 17.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.816 0.341 . . . . 0.0 110.9 -179.989 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -83.24 -50.75 8.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.874 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.54 ' HB1' ' OE2' ' A' ' 54' ' ' GLU . . . -55.2 -23.63 23.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.384 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.924 ' HB3' HD22 ' A' ' 41' ' ' LEU . 6.3 mp -66.72 -54.25 24.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.346 -179.768 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.401 ' HE3' ' HA ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -61.99 -52.92 62.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.647 -179.413 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.409 ' CG ' ' HA ' ' A' ' 50' ' ' ALA . 1.2 pp0? -58.84 -29.08 66.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.625 -179.375 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.54 ' OE2' ' HB1' ' A' ' 50' ' ' ALA . 20.6 mt-10 -81.93 -41.19 21.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 0.0 111.009 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.774 HD11 HD11 ' A' ' 17' ' ' LEU . 36.3 tp -57.03 -49.45 75.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.403 -179.524 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -58.1 -38.15 75.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.371 . . . . 0.0 111.196 -179.789 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.14 -46.22 78.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.179 -179.826 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.517 HD23 ' CD2' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -70.86 -25.53 62.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.229 -179.804 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.685 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 69.2 t-105 -88.66 -20.3 25.07 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.4 -179.941 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.51 -63.66 2.43 Favored Glycine 0 C--N 1.333 0.407 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.268 179.296 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.563 ' CG2' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -53.45 -50.47 65.22 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 179.25 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.54 ' N ' ' CG2' ' A' ' 61' ' ' THR . 2.1 t80 -43.68 -51.55 7.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 113.619 -1.628 . . . . 0.0 109.185 177.549 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.685 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 0.4 OUTLIER -56.75 -44.46 81.74 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 113.974 -1.466 . . . . 0.0 111.24 179.235 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.8 m -47.79 -36.31 11.49 Favored 'General case' 0 CA--C 1.521 -0.154 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.232 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.49 -31.97 22.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.576 178.297 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.552 ' HB ' ' HA ' ' A' ' 63' ' ' LYS . 44.9 t . . . . . 0 C--O 1.231 0.094 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.947 179.861 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.805 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.336 0.588 . . . . 0.0 112.479 . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.445 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 80.8 p -90.38 -178.58 5.39 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.12 -179.613 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.1 -37.18 53.29 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.424 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.56 -47.99 71.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.32 -179.862 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.805 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 39.7 m-20 -68.49 -52.77 28.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.206 -179.641 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.557 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -56.45 -34.68 67.09 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.052 0.453 . . . . 0.0 109.987 179.561 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.409 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 1.6 mm-40 -68.81 -33.02 73.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.489 178.68 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.4 ' HB3' ' O ' ' A' ' 9' ' ' ASP . 19.5 ttt85 -63.89 -34.85 78.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.764 179.163 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.717 ' O ' HD23 ' A' ' 17' ' ' LEU . 3.7 tp -64.52 -36.1 83.09 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.755 179.091 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.748 HD22 ' O ' ' A' ' 19' ' ' LEU . 12.1 mt -66.79 -35.35 79.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.96 179.76 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.07 -51.82 68.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.724 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.443 ' HB2' HD13 ' A' ' 55' ' ' LEU . 3.7 mm? -73.27 -12.16 60.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.75 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.717 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.6 mm? -90.29 -9.44 47.87 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -179.603 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.444 ' HD3' ' NE2' ' A' ' 37' ' ' GLN . 0.0 OUTLIER 54.3 20.07 2.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.371 0.605 . . . . 0.0 109.823 -178.614 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.781 HD13 ' HA ' ' A' ' 30' ' ' MET . 2.9 tt -111.9 110.02 54.68 Favored Pre-proline 0 N--CA 1.45 -0.471 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.748 -179.219 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.461 ' O ' HD13 ' A' ' 23' ' ' LEU . 79.0 Cg_exo -47.16 168.0 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.756 2.304 . . . . 0.0 113.375 -178.787 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.551 ' HG3' HD13 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -90.4 -4.99 56.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.105 179.393 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.29 -24.45 46.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.247 -179.197 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.757 ' CD2' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -111.69 11.84 21.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.09 179.794 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.553 ' HE3' HD21 ' A' ' 14' ' ' LEU . 51.2 t-105 -51.26 116.5 2.07 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.383 179.7 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 137.33 -28.21 2.8 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.631 -0.795 . . . . 0.0 113.069 179.598 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.436 ' O ' ' HG2' ' A' ' 30' ' ' MET . 3.7 t70 -72.88 87.04 1.29 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.75 0.309 . . . . 0.0 111.112 -179.584 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.53 ' CE1' HG11 ' A' ' 66' ' ' VAL . 12.5 t80 -45.46 -42.45 10.54 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.819 -179.864 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.3 -36.92 94.06 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.831 -0.699 . . . . 0.0 113.542 -179.159 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.426 ' HB2' ' HB3' ' A' ' 26' ' ' ASP . 0.2 OUTLIER -82.01 -38.55 24.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.858 0.329 . . . . 0.0 111.657 -179.244 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.781 ' HA ' HD13 ' A' ' 19' ' ' LEU . 12.0 ptp -69.26 -46.4 67.37 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 121.049 -0.26 . . . . 0.0 110.952 -179.866 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.401 ' N ' ' HG3' ' A' ' 30' ' ' MET . 50.4 tt0 -62.75 -38.7 91.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.355 . . . . 0.0 110.161 179.593 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -60.18 -39.65 87.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.936 179.264 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.443 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -73.09 -40.48 64.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.451 179.304 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.478 ' CE2' ' CB ' ' A' ' 59' ' ' TRP . 15.4 t80 -53.08 -53.47 49.78 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.88 179.692 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.467 ' HE2' ' HD1' ' A' ' 34' ' ' TYR . 6.8 mmpt? -67.07 -27.78 67.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.931 179.762 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.91 -36.19 67.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.717 179.849 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.595 ' NE2' HD21 ' A' ' 40' ' ' LEU . 8.0 mm-40 -88.8 -22.94 22.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.975 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.8 m -66.95 -29.59 69.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.687 179.721 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 17.1 mt -70.9 -47.21 60.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.344 -179.73 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.595 HD21 ' NE2' ' A' ' 37' ' ' GLN . 3.1 pp -71.48 -15.68 62.33 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.987 -179.738 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.54 HD22 ' HB3' ' A' ' 51' ' ' LEU . 16.7 mt -95.62 -9.11 33.02 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 120.73 0.3 . . . . 0.0 110.447 178.488 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.507 ' ND1' ' HD2' ' A' ' 43' ' ' PRO . 7.6 t60 -60.74 142.62 91.77 Favored Pre-proline 0 CA--C 1.531 0.231 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.46 179.702 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.507 ' HD2' ' ND1' ' A' ' 42' ' ' HIS . 35.3 Cg_endo -66.65 -10.49 28.23 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.438 2.092 . . . . 0.0 113.273 -179.392 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.94 -20.91 32.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.714 0.292 . . . . 0.0 110.894 179.695 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -107.35 27.98 8.55 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.875 0.369 . . . . 0.0 110.713 179.702 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.19 22.86 72.73 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.541 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -91.24 155.64 23.67 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.535 179.876 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.575 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -82.27 152.13 26.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.769 0.319 . . . . 0.0 110.855 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -78.79 -51.92 9.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.782 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.404 ' HA ' ' HG2' ' A' ' 53' ' ' GLN . . . -49.66 -30.25 8.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.772 -179.817 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.575 HD13 ' HB2' ' A' ' 48' ' ' SER . 0.4 OUTLIER -74.16 -52.19 13.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.322 -179.545 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -35.75 74.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.512 -179.412 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.404 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 8.1 pt20 -76.66 -28.44 56.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.117 -179.733 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.58 -46.11 70.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.843 0.354 . . . . 0.0 110.77 179.826 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.642 HD11 ' CD2' ' A' ' 17' ' ' LEU . 5.3 tp -70.96 -33.94 70.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.745 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.86 -31.99 70.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.66 179.757 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.04 -42.25 32.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.505 HD22 ' O ' ' A' ' 9' ' ' ASP . 3.2 mt -68.78 -29.03 67.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.884 179.925 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.573 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 69.8 t-105 -90.05 -20.61 23.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.072 179.558 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.427 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -74.43 -62.06 3.0 Favored Glycine 0 C--N 1.336 0.565 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.09 179.341 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.555 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -55.02 -50.17 69.7 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 179.112 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.555 ' N ' ' CG2' ' A' ' 61' ' ' THR . 3.1 t80 -44.71 -51.41 9.3 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 113.366 -1.743 . . . . 0.0 109.43 178.051 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.573 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 1.1 ttmt -55.47 -35.68 65.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.281 -1.327 . . . . 0.0 111.045 179.482 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.3 m -47.77 -39.64 18.56 Favored 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.268 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -85.24 -30.39 23.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.686 178.508 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.566 ' HB ' ' HA ' ' A' ' 63' ' ' LYS . 76.5 t . . . . . 0 N--CA 1.455 -0.196 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.146 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.819 HD12 ' HB3' ' A' ' 9' ' ' ASP . 1.6 pt? . . . . . 0 CA--C 1.528 0.101 0 CA-C-O 120.734 0.302 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.7 p -90.11 -178.17 5.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.029 0.442 . . . . 0.0 111.875 -178.544 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.43 ' HA ' ' CG ' ' A' ' 10' ' ' LYS . 31.3 ttm180 -53.99 -33.13 56.19 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.606 179.702 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.36 -45.3 80.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.131 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.819 ' HB3' HD12 ' A' ' 5' ' ' LEU . 9.1 m-20 -68.15 -55.43 12.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.259 -179.84 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.43 ' CG ' ' HA ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -55.26 -38.67 68.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.942 0.401 . . . . 0.0 110.544 -179.787 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -72.65 -30.34 64.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.188 179.124 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.79 -31.22 56.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.082 179.432 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.504 HD21 ' CE2' ' A' ' 62' ' ' PHE . 2.9 tp -65.01 -35.12 80.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.077 179.252 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.763 HD22 ' O ' ' A' ' 19' ' ' LEU . 13.6 mt -66.98 -49.41 65.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.98 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -59.85 -21.97 61.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.156 -179.923 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 37.6 mt -89.95 -34.11 16.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.747 0.308 . . . . 0.0 111.312 -179.866 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.673 ' CD1' HD11 ' A' ' 55' ' ' LEU . 9.1 mp -84.51 0.67 48.94 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -179.784 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.96 18.05 1.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.205 0.526 . . . . 0.0 110.577 -179.277 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.763 ' O ' HD22 ' A' ' 14' ' ' LEU . 2.2 tt -99.9 110.71 60.16 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.255 -179.661 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.501 ' CB ' HD21 ' A' ' 23' ' ' LEU . 42.1 Cg_exo -50.81 -179.81 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.779 2.319 . . . . 0.0 112.964 -178.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.98 -25.25 24.38 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.517 -179.827 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.47 -10.39 11.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.897 -179.787 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.765 HD23 ' N ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -126.17 14.91 7.85 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.746 0.308 . . . . 0.0 110.85 179.708 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.712 ' HE3' HD21 ' A' ' 14' ' ' LEU . 59.3 t-105 -51.62 93.07 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.652 179.57 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.22 -19.4 4.33 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.092 -179.343 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -61.27 82.67 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.763 0.315 . . . . 0.0 110.712 179.737 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.6 ' CE1' HG11 ' A' ' 66' ' ' VAL . 5.3 t80 -45.39 -32.37 2.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.411 -179.747 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.16 -35.22 64.2 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.93 -179.789 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.526 ' HB3' HD12 ' A' ' 19' ' ' LEU . 26.4 mmt180 -85.44 -48.85 8.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.737 0.303 . . . . 0.0 111.406 -179.642 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.542 ' CA ' HD13 ' A' ' 19' ' ' LEU . 8.7 ptp -59.62 -47.7 84.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.94 -179.845 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -64.47 -45.01 89.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.831 0.348 . . . . 0.0 110.529 179.681 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -61.52 -37.39 83.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.264 179.501 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.39 -34.76 47.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.533 179.61 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.431 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 10.2 t80 -58.06 -45.14 87.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.265 179.591 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.8 -34.98 74.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.413 179.663 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -70.5 -34.84 72.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.475 179.619 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.744 ' O ' HD12 ' A' ' 41' ' ' LEU . 99.3 mm-40 -83.6 -19.94 34.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.735 179.672 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.6 m -73.54 -34.6 65.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.68 179.673 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.7 mt -65.1 -40.93 95.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.826 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.7 pp -80.59 -12.65 59.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 179.794 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.744 HD12 ' O ' ' A' ' 37' ' ' GLN . 8.6 mt -95.5 -2.67 48.17 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.269 179.543 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.486 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 4.6 t60 -75.84 141.52 71.94 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.623 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.486 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 26.2 Cg_endo -63.06 -9.67 17.87 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.809 2.339 . . . . 0.0 113.434 -179.327 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.6 -24.33 27.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.643 0.258 . . . . 0.0 111.217 179.906 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.27 24.01 9.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.801 0.334 . . . . 0.0 111.158 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.84 -10.83 61.42 Favored Glycine 0 CA--C 1.52 0.37 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.883 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.36 164.67 29.02 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.583 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.481 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -90.2 154.85 19.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.917 0.389 . . . . 0.0 110.934 -179.948 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.436 ' CE1' ' HG3' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -83.28 -38.08 22.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.885 -179.98 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.66 -23.0 66.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.457 -179.787 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.481 HD13 ' HB2' ' A' ' 48' ' ' SER . 2.4 mp -82.27 -51.67 7.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.111 -179.755 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 10.8 tpt -55.21 -45.12 75.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.234 -179.789 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.84 -28.0 68.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.16 -45.74 38.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.673 HD11 ' CD1' ' A' ' 17' ' ' LEU . 15.0 tp -54.11 -56.18 20.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.231 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -55.55 -39.41 70.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.825 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.08 -33.9 75.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.656 179.777 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.569 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 14.2 mt -83.22 -22.24 33.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.814 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.535 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 66.6 t-105 -89.04 -18.56 27.08 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 179.425 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.448 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -77.43 -60.86 2.73 Favored Glycine 0 C--N 1.337 0.604 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.702 179.037 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.645 HG23 HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -54.74 -50.99 67.04 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 178.878 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.56 ' N ' ' CG2' ' A' ' 61' ' ' THR . 1.2 t80 -43.78 -50.99 7.59 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 113.42 -1.718 . . . . 0.0 109.534 178.084 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.576 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 2.9 ttmt -55.96 -39.9 72.44 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.199 -1.364 . . . . 0.0 111.098 179.783 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.7 m -46.91 -38.49 10.58 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.275 0.56 . . . . 0.0 109.533 179.177 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -85.5 -31.61 22.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.7 178.547 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.6 HG11 ' CE1' ' A' ' 27' ' ' PHE . 50.3 t . . . . . 0 C--O 1.231 0.083 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.832 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.4 pt? . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.854 0.359 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.7 p -89.09 -171.57 3.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.234 -179.365 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.85 -38.07 81.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.389 179.712 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.99 -45.69 92.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.201 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.832 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 3.5 m-20 -60.16 -58.79 7.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.961 -179.944 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.558 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -58.6 -39.31 80.06 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.862 0.363 . . . . 0.0 110.442 -179.922 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.502 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 3.9 mm-40 -67.22 -36.43 81.66 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.418 179.603 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -76.41 -34.79 58.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.003 179.436 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.599 HD13 ' HB3' ' A' ' 58' ' ' LEU . 2.5 tp -60.78 -39.22 88.01 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.678 179.051 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.715 HD21 ' HE3' ' A' ' 24' ' ' TRP . 26.8 mt -64.14 -45.25 89.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.666 179.701 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -57.02 -25.63 58.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.45 ' HB3' HD13 ' A' ' 55' ' ' LEU . 4.5 mt -90.06 -30.68 17.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.721 179.801 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.835 ' CD1' HD11 ' A' ' 55' ' ' LEU . 8.6 mp -85.4 1.34 49.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.995 179.575 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.95 20.52 1.69 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.362 0.601 . . . . 0.0 109.748 -178.656 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.811 HD13 ' HA ' ' A' ' 30' ' ' MET . 4.4 tt -107.77 108.98 62.12 Favored Pre-proline 0 N--CA 1.449 -0.504 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.204 -179.003 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.416 ' O ' HD13 ' A' ' 23' ' ' LEU . 53.5 Cg_exo -51.66 170.91 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.632 2.221 . . . . 0.0 113.009 -179.032 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.74 -7.07 55.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.07 179.236 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.8 tm0? -73.34 -32.24 64.44 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 -179.365 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.707 HD21 ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -104.06 13.12 33.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.077 179.836 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.715 ' HE3' HD21 ' A' ' 14' ' ' LEU . 62.8 t-105 -54.47 100.52 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.082 179.422 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.28 -26.22 0.88 Allowed Glycine 0 CA--C 1.52 0.386 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.903 179.827 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.409 ' O ' ' HG2' ' A' ' 30' ' ' MET . 17.4 t70 -79.81 95.39 6.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.689 0.281 . . . . 0.0 111.026 -179.762 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.786 ' CE1' HG11 ' A' ' 66' ' ' VAL . 42.6 t80 -52.14 -34.36 44.24 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.734 -179.6 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.01 -29.15 72.45 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.701 -0.761 . . . . 0.0 113.101 -179.33 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.401 ' HG3' HD12 ' A' ' 19' ' ' LEU . 3.9 tpt180 -87.11 -28.22 22.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.78 0.29 . . . . 0.0 111.75 -179.415 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.811 ' HA ' HD13 ' A' ' 19' ' ' LEU . 14.9 ptp -79.15 -42.47 26.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.682 -0.236 . . . . 0.0 110.885 179.867 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -68.9 -41.63 77.96 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 179.492 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -62.53 -42.24 99.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.053 0.454 . . . . 0.0 109.921 179.045 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.34 -37.02 63.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.564 179.553 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.459 ' CE2' ' CB ' ' A' ' 59' ' ' TRP . 12.5 t80 -60.69 -53.13 61.15 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.49 179.627 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.8 -36.53 81.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.36 179.64 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.38 -27.36 67.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.634 179.693 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.718 ' HA ' HD23 ' A' ' 40' ' ' LEU . 86.2 mm-40 -88.81 -22.7 23.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.682 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.2 m -71.21 -24.72 62.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.494 179.313 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.522 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 3.3 mt -74.28 -22.52 59.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.563 -179.706 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.718 HD23 ' HA ' ' A' ' 37' ' ' GLN . 1.4 pp -89.54 -24.36 21.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.713 0.292 . . . . 0.0 110.96 -179.842 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.493 HD22 ' HB3' ' A' ' 51' ' ' LEU . 4.5 mt -95.09 12.87 27.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.12 179.549 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.492 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 34.9 t-80 -82.96 132.16 51.84 Favored Pre-proline 0 CA--C 1.53 0.203 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.765 179.94 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.492 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 78.0 Cg_exo -41.91 -30.7 1.24 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.238 2.625 . . . . 0.0 114.422 -179.097 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.18 -18.31 50.02 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.123 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.522 ' HG3' ' O ' ' A' ' 39' ' ' LEU . 11.8 mmtm -109.49 31.17 5.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.974 0.416 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 60.43 73.93 0.43 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.452 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -138.71 154.0 22.91 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.581 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.23 149.89 22.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.772 0.32 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -75.44 -43.64 48.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.711 179.821 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.47 -23.93 18.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.252 179.853 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.493 ' HB3' HD22 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -86.71 -49.17 7.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.979 -179.99 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -42.43 81.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.207 -179.851 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -30.67 64.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.129 -179.925 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -69.64 -47.35 63.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.667 179.779 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.835 HD11 ' CD1' ' A' ' 17' ' ' LEU . 58.4 tp -62.98 -41.76 99.65 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.738 179.9 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -63.22 -41.34 99.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.674 179.698 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.0 p -65.52 -28.2 69.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.563 179.677 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.615 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 10.3 mt -83.02 -26.33 31.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.557 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 69.7 t-105 -89.0 -15.97 32.84 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 110.027 -0.361 . . . . 0.0 110.027 179.428 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -79.07 -62.4 2.22 Favored Glycine 0 C--N 1.335 0.511 0 C-N-CA 121.017 -0.611 . . . . 0.0 111.829 179.086 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.677 HG23 HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -54.63 -50.29 68.47 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 178.991 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.511 ' N ' ' CG2' ' A' ' 61' ' ' THR . 1.7 t80 -44.59 -49.32 10.23 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 113.584 -1.644 . . . . 0.0 109.644 178.15 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.557 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 2.2 ttmt -60.24 -37.23 79.71 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.171 -1.377 . . . . 0.0 111.218 179.809 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 43.1 m -46.05 -38.42 7.9 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-O 121.416 0.627 . . . . 0.0 109.492 179.28 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -85.56 -32.5 22.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.762 178.584 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.786 HG11 ' CE1' ' A' ' 27' ' ' PHE . 70.8 t . . . . . 0 N--CA 1.457 -0.119 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.935 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.756 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.6 pt? . . . . . 0 N--CA 1.461 0.106 0 CA-C-O 121.011 0.434 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.404 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 55.8 p -90.39 -178.99 5.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.459 -179.21 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.439 ' HG2' ' N ' ' A' ' 8' ' ' ALA . 0.1 OUTLIER -55.47 -30.95 61.52 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.889 179.525 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.439 ' N ' ' HG2' ' A' ' 7' ' ' ARG . . . -67.99 -43.58 78.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.126 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.756 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 2.0 m-20 -66.49 -57.85 6.47 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.24 -179.815 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.491 ' CD ' ' HG2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -54.13 -45.0 71.82 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.155 -179.223 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.491 ' HG2' ' CD ' ' A' ' 10' ' ' LYS . 3.8 mm-40 -67.86 -28.2 67.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.914 0.387 . . . . 0.0 110.148 179.075 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.0 ttt-85 -77.77 -42.32 34.42 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.415 179.596 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.459 ' O ' HD23 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -59.19 -30.38 68.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.11 179.222 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.704 HD22 ' O ' ' A' ' 19' ' ' LEU . 13.6 mt -66.9 -37.85 85.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.641 179.503 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -59.72 -42.44 93.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.433 179.835 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 mp -78.61 -16.93 56.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.87 179.59 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.502 ' CD2' HD11 ' A' ' 55' ' ' LEU . 0.8 OUTLIER -89.99 -6.58 55.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.666 -179.964 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 51.89 21.65 1.52 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.453 0.644 . . . . 0.0 109.863 -178.83 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.754 HD13 ' HA ' ' A' ' 30' ' ' MET . 4.6 tt -112.58 113.12 50.83 Favored Pre-proline 0 N--CA 1.45 -0.455 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.375 -179.09 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.422 ' O ' HD13 ' A' ' 23' ' ' LEU . 78.4 Cg_exo -47.07 166.08 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.761 2.307 . . . . 0.0 113.458 -178.567 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.417 ' HG2' HD12 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -90.17 -3.86 57.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.097 179.705 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -77.64 -34.01 53.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.055 0.455 . . . . 0.0 110.997 -179.252 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.67 HD22 ' C ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -101.16 11.6 39.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.478 -179.817 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.655 ' HE3' HD21 ' A' ' 14' ' ' LEU . 41.9 t-105 -52.13 101.99 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.326 179.713 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.23 -25.06 0.69 Allowed Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.614 -0.803 . . . . 0.0 113.118 179.745 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.479 ' HB3' ' HB2' ' A' ' 29' ' ' ARG . 6.0 t70 -78.4 86.21 4.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.694 0.247 . . . . 0.0 111.295 -179.595 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.828 ' CD1' HG11 ' A' ' 66' ' ' VAL . 13.2 t80 -44.28 -44.76 8.25 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.635 -179.908 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.93 -35.71 87.82 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.749 -179.793 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.479 ' HB2' ' HB3' ' A' ' 26' ' ' ASP . 10.0 ttt-85 -75.57 -54.08 7.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.751 0.31 . . . . 0.0 111.182 -179.625 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.754 ' HA ' HD13 ' A' ' 19' ' ' LEU . 13.0 ptp -58.22 -45.93 86.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.241 -179.713 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -58.68 -37.55 76.28 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.901 0.381 . . . . 0.0 110.302 179.63 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.61 -40.94 98.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.211 179.346 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.478 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -72.94 -38.04 66.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.459 179.5 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.443 ' CE2' ' CB ' ' A' ' 59' ' ' TRP . 10.8 t80 -54.85 -42.39 71.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.389 179.636 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -71.66 -29.91 65.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.793 179.815 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -66.12 -44.55 83.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.99 -179.712 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.434 ' HA ' HD21 ' A' ' 40' ' ' LEU . 2.9 mm-40 -84.92 -21.55 29.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.107 -179.948 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.9 -30.61 70.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.899 179.801 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 mt -73.79 -31.71 63.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.054 -179.785 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.499 HD12 ' HG ' ' A' ' 41' ' ' LEU . 1.7 pp -89.32 -12.89 39.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.612 -179.732 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.575 HD22 ' HB3' ' A' ' 51' ' ' LEU . 20.7 mt -94.88 -11.01 29.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.775 0.321 . . . . 0.0 110.814 179.577 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.578 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 3.2 t-80 -66.05 132.77 94.65 Favored Pre-proline 0 C--N 1.332 -0.173 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.508 179.594 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.578 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 19.6 Cg_endo -58.3 -12.42 13.29 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.629 2.22 . . . . 0.0 113.164 -179.59 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.46 -21.71 35.49 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.656 0.265 . . . . 0.0 111.295 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -109.98 28.88 8.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.85 0.357 . . . . 0.0 111.103 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.98 -11.03 63.59 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 0.0 113.039 179.69 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.94 163.37 29.64 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.631 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.508 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.9 OUTLIER -90.32 154.67 19.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.746 0.308 . . . . 0.0 110.643 179.94 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.44 ' CD2' ' HG3' ' A' ' 43' ' ' PRO . 0.5 OUTLIER -80.2 -41.82 24.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.853 179.941 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.52 -27.94 68.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.492 -179.791 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.575 ' HB3' HD22 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -78.71 -51.11 10.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.013 -179.878 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.8 tpt -57.74 -43.46 85.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.086 -179.899 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -67.0 -33.19 75.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.761 -179.936 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -60.24 -51.25 70.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 -179.925 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.502 HD11 ' CD2' ' A' ' 17' ' ' LEU . 4.7 tp -64.03 -35.99 82.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.941 -179.906 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -61.76 -30.56 70.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.953 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.33 -34.51 25.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.236 -179.872 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.605 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 8.0 mt -77.23 -22.8 51.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.333 -179.659 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.59 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 63.5 t-105 -90.5 -21.48 21.81 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.831 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.505 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -76.66 -61.47 2.73 Favored Glycine 0 C--N 1.336 0.573 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 178.907 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.725 HG23 HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -52.58 -49.85 64.17 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 178.628 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.534 ' HB2' ' O ' ' A' ' 58' ' ' LEU . 4.1 t80 -45.34 -50.67 11.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 113.404 -1.725 . . . . 0.0 109.444 178.016 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.59 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 1.4 ttmt -56.78 -34.67 67.85 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.143 -1.389 . . . . 0.0 111.097 179.414 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.459 ' HB ' ' O ' ' A' ' 61' ' ' THR . 66.8 m -49.58 -36.2 23.21 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.887 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -85.73 -30.66 22.93 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.421 178.319 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.828 HG11 ' CD1' ' A' ' 27' ' ' PHE . 87.0 t . . . . . 0 N--CA 1.453 -0.299 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.028 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.824 ' HB3' HG21 ' A' ' 61' ' ' THR . 1.3 pt? . . . . . 0 C--O 1.23 0.076 0 CA-C-O 121.01 0.433 . . . . 0.0 110.618 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.2 p -76.08 -178.22 4.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.165 -179.174 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.28 -37.46 69.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.815 179.822 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.45 -44.03 88.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.416 -179.792 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.766 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 8.7 m-20 -63.46 -58.18 7.85 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.24 -179.676 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -58.28 -32.83 68.78 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.863 0.363 . . . . 0.0 110.655 -179.825 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.414 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.8 OUTLIER -71.67 -33.37 68.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.988 179.098 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.9 -31.4 69.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.274 179.46 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.774 ' O ' HD23 ' A' ' 17' ' ' LEU . 5.5 tp -65.75 -37.28 85.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.956 179.229 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.869 HD22 ' O ' ' A' ' 19' ' ' LEU . 11.5 mt -66.85 -39.58 87.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.117 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -54.26 -52.98 59.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.817 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.779 HD21 HD23 ' A' ' 51' ' ' LEU . 3.4 mt -73.84 -12.14 60.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.044 179.745 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.774 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.3 mm? -90.2 -12.91 36.69 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -179.581 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 54.07 20.87 2.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.471 0.653 . . . . 0.0 109.915 -178.542 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.869 ' O ' HD22 ' A' ' 14' ' ' LEU . 2.4 tt -106.95 112.87 63.12 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.17 -178.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.435 ' HB2' HD12 ' A' ' 23' ' ' LEU . 71.9 Cg_exo -48.33 168.52 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.701 2.267 . . . . 0.0 113.522 -178.816 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.498 ' HG3' ' CD1' ' A' ' 14' ' ' LEU . 1.5 ttp180 -88.49 -2.8 58.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.577 179.856 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.49 -28.08 25.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.927 0.394 . . . . 0.0 111.595 -178.558 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.781 ' O ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -108.98 16.37 22.67 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.039 179.964 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.598 ' HE3' HD21 ' A' ' 14' ' ' LEU . 65.9 t-105 -51.29 -20.38 1.64 Allowed 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.569 179.37 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.31 -11.39 80.66 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 113.041 179.94 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -83.5 121.18 26.86 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.764 0.316 . . . . 0.0 111.022 -179.921 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -78.42 -45.23 22.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.304 -179.83 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.478 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -59.69 -31.77 72.25 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.921 -179.572 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.783 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -77.55 -48.05 17.95 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -179.363 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.852 ' HA ' HD13 ' A' ' 19' ' ' LEU . 7.5 ptp -56.36 -53.47 57.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.452 -179.406 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -61.08 -34.68 75.31 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.743 0.306 . . . . 0.0 110.757 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.478 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -59.21 -45.01 92.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.658 179.697 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.604 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -71.95 -36.68 69.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.807 179.792 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.475 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 8.0 t80 -54.54 -42.93 71.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.579 179.729 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -80.35 -33.44 37.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.74 179.777 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.9 tm0? -66.7 -36.22 81.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.872 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 62.5 mm-40 -87.22 -20.93 26.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.219 -179.89 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 85.2 p -67.44 -28.09 67.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.915 0.388 . . . . 0.0 110.613 179.416 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 17.2 mt -73.19 -33.9 65.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.189 -179.867 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.728 HD12 ' HG ' ' A' ' 41' ' ' LEU . 2.9 pp -84.97 -15.68 43.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.761 0.315 . . . . 0.0 110.955 179.68 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.728 ' HG ' HD12 ' A' ' 40' ' ' LEU . 12.7 mt -95.49 -14.29 23.81 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 120.927 0.394 . . . . 0.0 110.534 178.673 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.608 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 4.3 t-80 -61.22 147.16 87.41 Favored Pre-proline 0 CA--C 1.531 0.223 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.675 179.899 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.608 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 39.0 Cg_endo -67.95 -9.1 24.59 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.617 2.211 . . . . 0.0 113.357 -179.366 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.74 -23.75 21.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.676 0.274 . . . . 0.0 110.915 179.835 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.55 ' HD3' ' HB3' ' A' ' 42' ' ' HIS . 0.1 OUTLIER -101.83 30.93 4.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.818 0.342 . . . . 0.0 110.842 179.931 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.29 23.76 68.49 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.757 179.868 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -91.69 169.45 32.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.351 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.436 ' HB2' HD13 ' A' ' 51' ' ' LEU . 3.2 m -90.38 145.28 25.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 110.791 179.883 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.421 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 5.1 p-80 -80.51 -40.87 25.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.037 -179.796 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.1 -37.63 67.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.477 -179.85 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.779 HD23 HD21 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -66.97 -51.56 53.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.232 -179.782 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -31.72 39.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.226 -179.619 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 15.7 mm-40 -74.83 -38.22 62.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.972 0.415 . . . . 0.0 110.698 179.841 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -36.81 85.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.822 179.919 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.512 HD11 HD21 ' A' ' 17' ' ' LEU . 11.2 tp -67.49 -46.67 72.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -59.54 -24.42 63.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.167 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.8 t -78.46 -39.13 39.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.515 -179.627 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.641 HD22 HD12 ' A' ' 5' ' ' LEU . 81.0 mt -78.18 -28.39 48.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.294 -179.607 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.553 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 73.1 t-105 -83.45 -25.4 31.24 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.538 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.84 -61.65 3.96 Favored Glycine 0 C--N 1.334 0.448 0 C-N-CA 120.957 -0.639 . . . . 0.0 111.894 179.066 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.824 HG21 ' HB3' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -51.96 -49.54 62.99 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 178.58 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.525 ' N ' ' CG2' ' A' ' 61' ' ' THR . 1.2 t80 -46.97 -51.32 17.33 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 113.089 -1.869 . . . . 0.0 109.411 177.728 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.581 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 0.3 OUTLIER -60.18 -32.89 71.5 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 114.247 -1.342 . . . . 0.0 111.061 179.818 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.432 ' HB ' ' O ' ' A' ' 61' ' ' THR . 38.9 m -49.13 -37.36 21.7 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.056 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -85.6 -30.96 22.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.648 178.075 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.581 ' HB ' ' HA ' ' A' ' 63' ' ' LYS . 96.7 t . . . . . 0 N--CA 1.455 -0.199 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.929 179.868 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.824 ' HB3' HG21 ' A' ' 61' ' ' THR . 1.3 pt? . . . . . 0 C--O 1.23 0.076 0 CA-C-O 121.01 0.433 . . . . 0.0 110.618 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.2 p -76.08 -178.22 4.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.165 -179.174 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.28 -37.46 69.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.815 179.822 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.45 -44.03 88.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.416 -179.792 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.766 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 8.7 m-20 -63.46 -58.18 7.85 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.24 -179.676 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -58.28 -32.83 68.78 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.863 0.363 . . . . 0.0 110.655 -179.825 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.414 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.8 OUTLIER -71.67 -33.37 68.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.988 179.098 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.9 -31.4 69.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.274 179.46 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.774 ' O ' HD23 ' A' ' 17' ' ' LEU . 5.5 tp -65.75 -37.28 85.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.956 179.229 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.869 HD22 ' O ' ' A' ' 19' ' ' LEU . 11.5 mt -66.85 -39.58 87.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.117 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -54.26 -52.98 59.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.817 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.779 HD21 HD23 ' A' ' 51' ' ' LEU . 3.4 mt -73.84 -12.14 60.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.044 179.745 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.774 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.3 mm? -90.2 -12.91 36.69 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -179.581 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 54.07 20.87 2.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.471 0.653 . . . . 0.0 109.915 -178.542 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.869 ' O ' HD22 ' A' ' 14' ' ' LEU . 2.4 tt -106.95 112.87 63.12 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.17 -178.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.435 ' HB2' HD12 ' A' ' 23' ' ' LEU . 71.9 Cg_exo -48.33 168.52 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.701 2.267 . . . . 0.0 113.522 -178.816 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.498 ' HG3' ' CD1' ' A' ' 14' ' ' LEU . 1.5 ttp180 -88.49 -2.8 58.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.577 179.856 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.49 -28.08 25.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.927 0.394 . . . . 0.0 111.595 -178.558 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.781 ' O ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -108.98 16.37 22.67 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.039 179.964 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.598 ' HE3' HD21 ' A' ' 14' ' ' LEU . 65.9 t-105 -51.29 -20.38 1.64 Allowed 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.569 179.37 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.31 -11.39 80.66 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 113.041 179.94 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -83.5 121.18 26.86 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.764 0.316 . . . . 0.0 111.022 -179.921 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -78.42 -45.23 22.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.304 -179.83 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.478 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -59.69 -31.77 72.25 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.921 -179.572 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.783 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -77.55 -48.05 17.95 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -179.363 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.852 ' HA ' HD13 ' A' ' 19' ' ' LEU . 7.5 ptp -56.36 -53.47 57.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.452 -179.406 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -61.08 -34.68 75.31 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.743 0.306 . . . . 0.0 110.757 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.478 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -59.21 -45.01 92.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.658 179.697 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.604 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -71.95 -36.68 69.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.807 179.792 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.475 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 8.0 t80 -54.54 -42.93 71.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.579 179.729 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -80.35 -33.44 37.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.74 179.777 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.9 tm0? -66.7 -36.22 81.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.872 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 62.5 mm-40 -87.22 -20.93 26.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.219 -179.89 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 85.2 p -67.44 -28.09 67.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.915 0.388 . . . . 0.0 110.613 179.416 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 17.2 mt -73.19 -33.9 65.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.189 -179.867 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.728 HD12 ' HG ' ' A' ' 41' ' ' LEU . 2.9 pp -84.97 -15.68 43.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.761 0.315 . . . . 0.0 110.955 179.68 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.728 ' HG ' HD12 ' A' ' 40' ' ' LEU . 12.7 mt -95.49 -14.29 23.81 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 120.927 0.394 . . . . 0.0 110.534 178.673 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.608 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 4.3 t-80 -61.22 147.16 87.41 Favored Pre-proline 0 CA--C 1.531 0.223 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.675 179.899 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.608 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 39.0 Cg_endo -67.95 -9.1 24.59 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.617 2.211 . . . . 0.0 113.357 -179.366 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.74 -23.75 21.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.676 0.274 . . . . 0.0 110.915 179.835 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.55 ' HD3' ' HB3' ' A' ' 42' ' ' HIS . 0.1 OUTLIER -101.83 30.93 4.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.818 0.342 . . . . 0.0 110.842 179.931 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.29 23.76 68.49 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.757 179.868 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -91.69 169.45 32.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.351 179.912 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.436 ' HB2' HD13 ' A' ' 51' ' ' LEU . 3.2 m -90.38 145.28 25.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 110.791 179.883 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.421 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 5.1 p-80 -80.51 -40.87 25.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.037 -179.796 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.1 -37.63 67.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.477 -179.85 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.779 HD23 HD21 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -66.97 -51.56 53.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.232 -179.782 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -31.72 39.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.226 -179.619 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 15.7 mm-40 -74.83 -38.22 62.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.972 0.415 . . . . 0.0 110.698 179.841 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -36.81 85.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.822 179.919 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.512 HD11 HD21 ' A' ' 17' ' ' LEU . 11.2 tp -67.49 -46.67 72.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -59.54 -24.42 63.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.167 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.8 t -78.46 -39.13 39.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.515 -179.627 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.641 HD22 HD12 ' A' ' 5' ' ' LEU . 81.0 mt -78.18 -28.39 48.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.294 -179.607 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.553 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 73.1 t-105 -83.45 -25.4 31.24 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.538 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.84 -61.65 3.96 Favored Glycine 0 C--N 1.334 0.448 0 C-N-CA 120.957 -0.639 . . . . 0.0 111.894 179.066 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.824 HG21 ' HB3' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -51.96 -49.54 62.99 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 178.58 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.525 ' N ' ' CG2' ' A' ' 61' ' ' THR . 1.2 t80 -46.97 -51.32 17.33 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 113.089 -1.869 . . . . 0.0 109.411 177.728 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.581 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 0.3 OUTLIER -60.18 -32.89 71.5 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 114.247 -1.342 . . . . 0.0 111.061 179.818 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.432 ' HB ' ' O ' ' A' ' 61' ' ' THR . 38.9 m -49.13 -37.36 21.7 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.056 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -85.6 -30.96 22.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.648 178.075 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.581 ' HB ' ' HA ' ' A' ' 63' ' ' LYS . 96.7 t . . . . . 0 N--CA 1.455 -0.199 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.929 179.868 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.826 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.5 pt? . . . . . 0 N--CA 1.461 0.12 0 CA-C-O 121.09 0.471 . . . . 0.0 111.232 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.1 p -90.05 -176.9 5.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.557 -179.17 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -33.42 64.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.794 179.844 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.78 -46.52 71.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.458 -179.731 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.826 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 37.5 m-20 -59.52 -59.77 4.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.23 -179.699 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.649 ' N ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -53.39 -37.7 62.7 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 121.119 0.485 . . . . 0.0 110.141 179.918 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.414 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 4.8 tt0 -70.91 -34.7 71.8 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.931 178.949 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.478 ' O ' HD12 ' A' ' 16' ' ' LEU . 1.0 OUTLIER -73.66 -40.25 63.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.608 179.651 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.502 ' O ' HD13 ' A' ' 17' ' ' LEU . 2.6 tp -58.66 -40.57 83.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.694 179.666 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.759 HD11 ' CE3' ' A' ' 24' ' ' TRP . 48.8 mt -67.23 -41.82 85.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.144 179.933 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -54.55 -29.17 50.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.942 0.401 . . . . 0.0 110.45 179.757 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.633 ' CD2' HD23 ' A' ' 51' ' ' LEU . 1.3 mt -90.11 -23.98 21.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.945 179.673 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.614 HD11 HD11 ' A' ' 55' ' ' LEU . 8.9 mp -89.96 -2.41 58.15 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 179.823 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.422 ' HD3' ' OE1' ' A' ' 37' ' ' GLN . 0.3 OUTLIER 52.83 20.52 1.63 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.411 0.624 . . . . 0.0 110.018 -178.477 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.877 HD13 ' HA ' ' A' ' 30' ' ' MET . 3.0 tt -106.99 108.57 62.23 Favored Pre-proline 0 N--CA 1.448 -0.55 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.843 -179.418 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -49.26 174.34 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 123.166 2.578 . . . . 0.0 114.207 -178.471 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.47 ' HG3' ' CD1' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -89.8 -15.07 33.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.643 179.067 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -66.67 -34.54 78.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.59 -178.709 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.85 HD21 HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -103.14 8.37 38.64 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.205 -179.952 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.759 ' CE3' HD11 ' A' ' 14' ' ' LEU . 54.5 t-105 -53.88 90.31 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.241 179.438 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 169.09 -32.1 0.17 Allowed Glycine 0 CA--C 1.518 0.25 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.83 179.892 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -80.34 91.44 5.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.84 0.352 . . . . 0.0 111.153 -179.679 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.793 ' CE1' HG11 ' A' ' 66' ' ' VAL . 42.9 t80 -50.44 -39.55 47.89 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.458 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.64 -29.56 72.31 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.81 -179.782 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -83.14 -49.54 9.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.653 0.263 . . . . 0.0 111.212 -179.685 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.877 ' HA ' HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -66.22 -39.03 89.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.265 -179.986 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -65.08 -44.51 88.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.802 0.334 . . . . 0.0 110.633 179.714 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -62.06 -39.72 93.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.351 179.494 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.93 -28.77 63.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.656 179.562 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -60.48 -45.9 92.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.638 179.671 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -71.84 -27.97 63.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.97 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -72.53 -39.31 67.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.795 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.512 ' HA ' HD21 ' A' ' 40' ' ' LEU . 6.6 mm100 -75.03 -19.74 59.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.933 179.677 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.1 m -71.26 -30.01 65.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.784 179.856 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.9 mt -71.77 -31.95 67.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.32 -179.77 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.512 HD21 ' HA ' ' A' ' 37' ' ' GLN . 1.5 pp -89.05 -17.1 30.02 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.409 -179.668 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.9 mt -95.28 9.45 39.77 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.755 0.312 . . . . 0.0 110.844 178.926 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.535 ' HD2' ' HB2' ' A' ' 44' ' ' ASP . 37.4 t60 -88.76 132.09 39.57 Favored Pre-proline 0 CA--C 1.53 0.189 0 CA-C-O 120.915 0.388 . . . . 0.0 111.043 -179.739 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_exo -43.59 -31.38 3.19 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 123.17 2.58 . . . . 0.0 113.919 -179.474 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.535 ' HB2' ' HD2' ' A' ' 42' ' ' HIS . 0.8 OUTLIER -78.95 -19.29 52.09 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -179.287 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -114.87 31.06 6.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.879 0.371 . . . . 0.0 110.66 179.692 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 62.98 102.24 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.421 -179.821 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -175.78 164.57 34.8 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.444 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.467 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -90.05 153.88 20.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.938 0.399 . . . . 0.0 110.934 -179.808 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -83.08 -37.49 23.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.846 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.424 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -62.29 -28.19 69.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.227 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.633 HD23 ' CD2' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -74.49 -48.64 26.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.039 0.447 . . . . 0.0 110.808 -179.982 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -37.33 72.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.466 -179.644 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -81.2 -39.28 25.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.267 -179.653 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 0.5 OUTLIER -65.99 -32.96 74.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.949 0.404 . . . . 0.0 110.361 179.615 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.614 HD11 HD11 ' A' ' 17' ' ' LEU . 10.1 tp -67.76 -47.03 70.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.693 179.9 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -58.21 -43.5 87.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 179.931 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.49 -31.53 72.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.598 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 9.8 mt -81.11 -27.34 35.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.046 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.523 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 68.7 t-105 -87.38 -27.13 22.97 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.761 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.438 ' HA2' ' NZ ' ' A' ' 63' ' ' LYS . . . -68.26 -64.05 3.3 Favored Glycine 0 C--N 1.333 0.405 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.015 179.105 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.695 HG23 HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -51.4 -49.65 61.18 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 178.821 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.502 ' N ' ' CG2' ' A' ' 61' ' ' THR . 2.2 t80 -46.44 -51.57 14.87 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 113.412 -1.722 . . . . 0.0 109.43 178.058 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.574 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 0.1 OUTLIER -58.41 -35.64 72.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.331 -1.304 . . . . 0.0 111.108 179.811 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.446 ' HB ' ' O ' ' A' ' 61' ' ' THR . 58.4 m -50.51 -37.05 36.92 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 178.803 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -85.15 -30.76 23.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.499 178.541 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.793 HG11 ' CE1' ' A' ' 27' ' ' PHE . 72.9 t . . . . . 0 N--CA 1.454 -0.264 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.291 -179.891 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.776 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.2 pt? . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.935 0.398 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.9 p -89.99 -174.63 4.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.491 -179.182 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 7' ' ' ARG . 1.5 mmt-85 -55.74 -37.28 68.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.803 179.844 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.03 -39.29 93.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.429 -179.855 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.776 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 1.7 m-20 -69.96 -57.09 5.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.164 -179.796 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.504 ' HD3' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -54.44 -39.99 67.93 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.826 0.346 . . . . 0.0 110.781 -179.627 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.504 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 16.8 tp10 -70.73 -34.54 71.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.025 179.246 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.7 ttt85 -70.14 -40.53 74.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.802 179.274 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.555 ' O ' HD23 ' A' ' 17' ' ' LEU . 1.6 tp -60.25 -31.42 70.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.863 179.018 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.861 HD22 ' O ' ' A' ' 19' ' ' LEU . 12.1 mt -69.42 -37.67 77.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.769 179.644 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -56.35 -46.23 80.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.751 179.865 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.506 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 1.1 mt -77.61 -15.07 59.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.98 179.696 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.675 ' O ' ' HB1' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -90.14 -10.0 46.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.904 -179.784 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.38 19.55 3.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.309 0.576 . . . . 0.0 109.758 -178.451 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.887 HD13 ' HA ' ' A' ' 30' ' ' MET . 3.5 tt -112.67 110.56 52.3 Favored Pre-proline 0 N--CA 1.451 -0.401 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.941 -179.074 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.42 ' O ' HD13 ' A' ' 23' ' ' LEU . 73.4 Cg_exo -48.21 169.15 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.768 2.312 . . . . 0.0 113.402 -178.833 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.32 -5.56 56.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.001 179.117 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -73.89 -35.63 64.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.115 0.483 . . . . 0.0 110.722 -179.393 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.724 HD21 ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -101.28 11.38 39.4 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.268 179.894 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.653 ' HE3' HD21 ' A' ' 14' ' ' LEU . 58.9 t-105 -53.36 98.32 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.321 179.576 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.72 -24.53 0.56 Allowed Glycine 0 C--N 1.33 0.241 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.794 179.822 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.431 ' HB3' ' HB2' ' A' ' 29' ' ' ARG . 27.4 t0 -80.37 91.57 5.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.694 0.283 . . . . 0.0 111.113 -179.781 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.502 ' CE1' HG11 ' A' ' 66' ' ' VAL . 40.0 t80 -47.09 -47.25 23.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.806 -179.729 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.94 -35.71 77.18 Favored Glycine 0 CA--C 1.517 0.187 0 C-N-CA 120.849 -0.691 . . . . 0.0 113.381 -179.306 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.431 ' HB2' ' HB3' ' A' ' 26' ' ' ASP . 0.2 OUTLIER -78.96 -45.61 20.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.796 0.298 . . . . 0.0 111.468 -179.42 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.887 ' HA ' HD13 ' A' ' 19' ' ' LEU . 13.9 ptp -61.42 -42.87 99.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.586 0.231 . . . . 0.0 110.971 -179.789 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -63.39 -39.36 94.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.94 0.4 . . . . 0.0 110.391 179.722 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -59.92 -33.89 72.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.171 179.484 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.675 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -81.33 -43.15 19.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.554 179.498 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.604 ' HB2' HD11 ' A' ' 17' ' ' LEU . 13.6 t80 -54.23 -40.97 68.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.981 179.83 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -73.75 -38.96 64.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.635 179.623 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -59.38 -37.61 78.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.203 179.595 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 12.9 mm100 -87.22 -19.56 28.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.138 179.667 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.4 m -72.98 -39.23 66.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.938 0.399 . . . . 0.0 110.676 179.662 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.426 ' O ' ' HD3' ' A' ' 45' ' ' LYS . 0.5 OUTLIER -68.16 -27.1 66.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.398 -179.716 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.519 HD12 ' HG ' ' A' ' 41' ' ' LEU . 4.3 pp -90.14 -15.93 30.58 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.971 -0.291 . . . . 0.0 111.207 179.638 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.738 HD22 ' HB3' ' A' ' 51' ' ' LEU . 7.5 mt -95.42 5.72 50.86 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.167 179.299 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.472 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 20.1 t-80 -85.95 139.52 34.92 Favored Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.618 -0.264 . . . . 0.0 110.396 179.619 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.467 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 87.9 Cg_exo -45.41 -41.54 17.82 Favored 'Trans proline' 0 CA--C 1.528 0.208 0 C-N-CA 122.798 2.332 . . . . 0.0 112.892 -179.797 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.0 -10.93 60.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.712 -179.479 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.472 ' HD3' ' HB3' ' A' ' 42' ' ' HIS . 0.2 OUTLIER -118.36 31.08 6.86 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.82 0.343 . . . . 0.0 111.092 -179.825 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.0 21.64 69.87 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.895 179.738 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -96.68 166.61 23.96 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.468 179.835 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.636 ' HB2' HD12 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -90.28 153.01 20.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.949 0.404 . . . . 0.0 111.012 -179.836 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.29 -49.27 11.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.675 179.757 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.7 -26.94 64.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.183 179.936 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.738 ' HB3' HD22 ' A' ' 41' ' ' LEU . 7.2 mt -71.24 -51.34 25.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.046 179.955 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.434 ' O ' ' HB2' ' A' ' 56' ' ' ASN . 3.0 tpt -51.54 -34.07 34.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.984 -179.93 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -80.38 -30.83 37.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.596 179.696 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -66.71 -54.23 25.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.887 179.879 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.518 HD11 ' CD2' ' A' ' 17' ' ' LEU . 9.3 tp -61.41 -42.47 98.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.74 180.0 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 52' ' ' MET . 1.2 t-20 -62.22 -35.44 78.9 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.86 0.362 . . . . 0.0 110.438 179.679 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.6 m -63.3 -40.52 97.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.512 179.66 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.614 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 3.7 mt -77.82 -29.21 50.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.612 179.556 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.657 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 70.8 t-105 -83.14 -10.2 58.78 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.077 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.467 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -85.58 -57.32 2.21 Favored Glycine 0 C--N 1.338 0.649 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 178.502 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.647 HG23 HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -58.54 -50.62 73.11 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 178.104 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.541 ' N ' ' CG2' ' A' ' 61' ' ' THR . 4.0 t80 -46.28 -48.39 18.08 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 113.55 -1.659 . . . . 0.0 109.174 177.87 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.657 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 3.5 ttmt -60.23 -36.89 78.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.264 -1.335 . . . . 0.0 111.252 179.649 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.7 m -47.17 -37.93 10.98 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.36 0.6 . . . . 0.0 109.4 179.566 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -85.47 -31.79 22.62 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.186 -0.916 . . . . 0.0 109.509 178.175 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.587 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 74.8 t . . . . . 0 N--CA 1.458 -0.061 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.852 179.637 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.838 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.1 pt? . . . . . 0 N--CA 1.461 0.122 0 CA-C-O 121.071 0.462 . . . . 0.0 111.478 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 p -90.55 -175.27 4.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.975 -179.922 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.411 ' O ' ' HD2' ' A' ' 10' ' ' LYS . 5.3 mtt180 -54.28 -42.35 69.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 179.723 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.14 -40.96 82.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.238 -179.882 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.838 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 1.1 m-20 -66.42 -58.18 5.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.464 -179.649 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.571 ' N ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -60.89 -42.73 98.56 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.773 0.321 . . . . 0.0 110.625 -179.532 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.424 ' HG2' ' HD2' ' A' ' 10' ' ' LYS . 1.3 mm-40 -61.79 -26.1 67.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.31 179.15 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -86.75 -34.5 19.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.402 179.467 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.566 ' O ' HD23 ' A' ' 17' ' ' LEU . 1.6 tp -65.32 -32.38 74.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.896 179.111 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.77 HD22 ' O ' ' A' ' 19' ' ' LEU . 12.5 mt -68.86 -37.17 78.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.709 179.713 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -56.64 -53.63 55.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.663 179.832 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.75 -12.8 61.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.937 179.479 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.608 ' CD2' HD11 ' A' ' 55' ' ' LEU . 0.6 OUTLIER -90.15 -9.35 48.59 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.708 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.68 19.85 1.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.278 0.561 . . . . 0.0 110.042 -178.815 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.827 HD13 ' HA ' ' A' ' 30' ' ' MET . 3.6 tt -113.08 111.26 50.67 Favored Pre-proline 0 N--CA 1.452 -0.368 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.672 -179.286 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.446 ' O ' HD13 ' A' ' 23' ' ' LEU . 85.6 Cg_exo -46.06 166.26 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.66 2.24 . . . . 0.0 113.36 -178.727 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.38 -3.66 57.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.194 179.444 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -78.32 -32.36 49.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.921 0.391 . . . . 0.0 110.902 -179.345 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.706 HD21 HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -101.42 10.95 39.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.134 179.831 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.576 ' HE3' HD21 ' A' ' 14' ' ' LEU . 46.2 t-105 -52.75 100.98 0.03 OUTLIER 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.288 179.599 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.92 -31.46 0.61 Allowed Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.663 179.833 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.478 ' HB3' ' HB2' ' A' ' 29' ' ' ARG . 19.1 t0 -73.96 93.75 2.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.718 0.294 . . . . 0.0 111.17 -179.906 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.855 ' CE1' HG11 ' A' ' 66' ' ' VAL . 20.4 t80 -49.37 -36.65 22.32 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.553 -179.676 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.67 -31.62 73.56 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.848 -0.691 . . . . 0.0 113.0 -179.448 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.552 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -82.85 -35.44 26.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.85 0.357 . . . . 0.0 111.238 -179.645 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.827 ' HA ' HD13 ' A' ' 19' ' ' LEU . 13.5 ptp -74.35 -42.89 58.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.024 -179.902 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -64.35 -47.73 78.21 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.107 -179.994 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' A' ' 29' ' ' ARG . 1.3 pt20 -57.29 -33.11 67.31 Favored 'General case' 0 C--O 1.231 0.107 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.692 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.524 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -77.4 -44.62 28.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.1 178.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.563 ' HB2' HD11 ' A' ' 17' ' ' LEU . 12.2 t80 -54.17 -37.27 64.27 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.26 179.199 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.14 -44.5 38.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.47 179.567 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -61.6 -30.0 70.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.499 179.581 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.506 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 91.9 mm-40 -87.48 -18.33 30.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.07 179.798 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.1 m -77.19 -35.04 56.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.922 0.392 . . . . 0.0 110.611 179.678 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.1 mt -62.29 -32.35 73.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.0 pp -89.18 -15.81 32.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.789 179.719 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.626 HD22 ' HB3' ' A' ' 51' ' ' LEU . 17.1 mt -94.81 -5.83 44.25 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.02 179.535 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.567 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 4.1 t-80 -68.9 138.45 90.29 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.163 179.413 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.567 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 26.1 Cg_endo -62.78 -12.69 30.14 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.531 2.154 . . . . 0.0 112.823 -179.749 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.54 -21.94 25.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.733 0.301 . . . . 0.0 110.903 179.71 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.531 ' HD3' ' HB3' ' A' ' 42' ' ' HIS . 0.9 OUTLIER -99.92 31.01 3.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.016 -179.955 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.54 45.71 75.32 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.682 179.737 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -125.52 171.59 17.44 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.491 179.835 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.605 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -89.99 150.56 22.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.889 0.376 . . . . 0.0 110.854 -179.975 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -79.01 -41.94 27.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.48 -36.75 76.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.61 -179.732 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.626 ' HB3' HD22 ' A' ' 41' ' ' LEU . 3.7 mp -62.28 -55.77 25.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.224 -179.62 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 7.6 tpt -56.99 -30.42 64.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.205 -179.747 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -69.83 -27.55 64.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.8 179.837 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.97 -49.24 38.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.863 179.919 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.608 HD11 ' CD2' ' A' ' 17' ' ' LEU . 7.9 tp -55.53 -46.38 77.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -59.17 -42.75 91.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.01 0.433 . . . . 0.0 110.705 179.78 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 t -66.08 -30.64 71.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.6 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 9.1 mt -86.28 -24.99 25.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.444 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.57 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 63.8 t-105 -89.47 -26.25 21.04 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.108 -0.331 . . . . 0.0 110.108 179.883 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.427 ' HA2' ' NZ ' ' A' ' 63' ' ' LYS . . . -68.29 -63.65 3.49 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.825 -0.702 . . . . 0.0 111.957 179.109 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.603 ' CG2' HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -52.83 -50.19 64.18 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 178.905 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.529 ' HB2' ' O ' ' A' ' 58' ' ' LEU . 5.7 t80 -45.9 -49.37 15.68 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 113.436 -1.711 . . . . 0.0 109.491 177.931 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.585 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 0.2 OUTLIER -56.93 -33.46 67.01 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 114.136 -1.393 . . . . 0.0 111.145 179.724 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.416 ' HB ' ' O ' ' A' ' 61' ' ' THR . 58.1 m -50.88 -37.9 46.39 Favored 'General case' 0 CA--C 1.521 -0.152 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.887 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -85.33 -30.89 23.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.55 178.36 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.855 HG11 ' CE1' ' A' ' 27' ' ' PHE . 76.7 t . . . . . 0 N--CA 1.458 -0.058 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.699 179.796 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.812 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.0 pt? . . . . . 0 C--O 1.232 0.152 0 CA-C-O 121.027 0.442 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.7 p -84.14 -176.15 6.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.97 -179.369 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.485 ' HG3' ' N ' ' A' ' 8' ' ' ALA . 8.2 ptt180 -57.78 -36.6 72.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.015 -179.94 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.485 ' N ' ' HG3' ' A' ' 7' ' ' ARG . . . -64.76 -41.87 95.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.812 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 1.4 m-20 -59.37 -59.66 5.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 179.75 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.508 ' N ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -60.59 -44.2 96.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.685 -179.975 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -63.93 -28.29 69.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.229 179.414 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -85.11 -27.85 25.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.229 179.284 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.687 ' O ' HD13 ' A' ' 17' ' ' LEU . 1.1 tp -68.13 -30.22 69.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.048 179.39 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.791 HD22 HD23 ' A' ' 19' ' ' LEU . 89.2 mt -77.72 -37.4 49.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.008 -179.889 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -59.67 -36.69 76.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.861 179.797 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.44 HD21 HD23 ' A' ' 51' ' ' LEU . 5.6 mp -84.56 -19.88 32.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.23 179.947 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.687 HD13 ' O ' ' A' ' 13' ' ' LEU . 7.2 mp -90.23 -0.58 57.69 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.87 20.39 1.61 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.294 0.569 . . . . 0.0 110.026 -178.902 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.917 HD13 ' HA ' ' A' ' 30' ' ' MET . 4.2 tt -110.65 111.56 56.92 Favored Pre-proline 0 N--CA 1.449 -0.485 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.179 -178.891 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.411 ' O ' HD13 ' A' ' 23' ' ' LEU . 77.0 Cg_exo -47.53 168.17 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 123.156 2.57 . . . . 0.0 113.975 -178.591 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.401 ' HA ' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -90.59 -7.48 52.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.737 179.649 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -76.37 -33.86 58.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.0 0.428 . . . . 0.0 111.252 -178.76 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.682 HD21 HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -97.21 12.64 32.14 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.53 -179.652 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.767 ' CE3' HD11 ' A' ' 14' ' ' LEU . 73.4 t-105 -51.88 97.19 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.234 179.492 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.23 -25.68 0.61 Allowed Glycine 0 C--N 1.332 0.358 0 C-N-CA 120.507 -0.854 . . . . 0.0 113.049 179.883 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.409 ' O ' ' HG2' ' A' ' 30' ' ' MET . 42.5 t0 -80.53 89.71 5.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.591 0.234 . . . . 0.0 111.147 -179.678 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.807 ' CD1' HG11 ' A' ' 66' ' ' VAL . 30.2 t80 -48.2 -35.81 12.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.743 0.306 . . . . 0.0 111.521 -179.788 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.435 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -64.0 -41.08 98.73 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 0.0 113.296 -179.388 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -76.21 -37.8 57.3 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -178.985 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.917 ' HA ' HD13 ' A' ' 19' ' ' LEU . 18.2 ptp -73.26 -40.34 64.69 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.171 -0.212 . . . . 0.0 111.025 -179.879 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -66.36 -36.98 84.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.898 0.38 . . . . 0.0 110.084 179.266 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.435 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -66.28 -36.33 82.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.932 179.13 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.515 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -76.63 -31.65 57.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.37 179.355 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.483 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 13.4 t80 -61.72 -45.14 95.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.513 179.644 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -41.94 78.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.016 0.436 . . . . 0.0 110.443 179.729 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -63.8 -32.2 73.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.611 179.776 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.513 ' OE1' HD21 ' A' ' 40' ' ' LEU . 98.1 mm-40 -90.0 -21.12 22.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.811 179.914 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.2 m -69.81 -37.17 76.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.029 0.442 . . . . 0.0 110.27 179.223 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.8 mt -61.38 -50.35 73.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.841 179.911 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.707 HD12 ' HG ' ' A' ' 41' ' ' LEU . 2.6 pp -64.42 -20.69 66.31 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.707 ' HG ' HD12 ' A' ' 40' ' ' LEU . 34.0 mt -95.72 9.08 41.59 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.796 179.249 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.464 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 3.8 t60 -85.27 131.63 47.67 Favored Pre-proline 0 CA--C 1.53 0.186 0 CA-C-O 120.613 0.244 . . . . 0.0 110.713 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.464 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 75.2 Cg_exo -45.61 -16.3 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.852 2.368 . . . . 0.0 113.614 -179.982 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -92.4 -28.75 16.68 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.785 0.326 . . . . 0.0 111.067 -179.818 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp -98.41 29.02 3.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.058 -179.807 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 59.66 89.38 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.428 -179.909 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -154.07 164.93 31.56 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.581 -179.887 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.516 ' HB2' HD13 ' A' ' 51' ' ' LEU . 2.7 m -87.96 151.61 22.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.851 0.358 . . . . 0.0 110.965 -179.875 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -80.07 -35.99 36.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.777 179.955 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.79 -21.84 66.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.382 -179.886 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.521 ' HB3' HD22 ' A' ' 41' ' ' LEU . 0.5 OUTLIER -86.05 -49.34 7.87 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.976 0.417 . . . . 0.0 110.447 179.735 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -31.05 65.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.278 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -83.07 -38.06 23.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -36.14 83.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.988 0.423 . . . . 0.0 110.225 179.509 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.633 HD11 HD11 ' A' ' 17' ' ' LEU . 9.0 tp -67.82 -46.56 71.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.633 179.732 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -61.85 -39.37 91.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.954 179.921 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.63 -32.42 60.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.742 179.752 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.597 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 13.1 mt -78.94 -29.12 43.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.21 -179.698 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.604 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 63.2 t-105 -88.87 -25.73 21.99 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 179.77 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.2 -63.73 3.16 Favored Glycine 0 C--N 1.335 0.504 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.99 179.031 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.711 HG23 HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -51.1 -49.37 60.84 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 178.779 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.542 ' HB2' ' O ' ' A' ' 58' ' ' LEU . 7.2 t80 -46.48 -56.38 6.04 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 113.221 -1.809 . . . . 0.0 109.289 177.556 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.604 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -53.52 -38.31 63.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.53 -1.214 . . . . 0.0 111.237 179.378 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' A' ' 61' ' ' THR . 28.5 m -47.95 -41.14 24.22 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 121.268 0.556 . . . . 0.0 109.519 179.098 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -83.57 -28.33 28.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.833 178.62 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.807 HG11 ' CD1' ' A' ' 27' ' ' PHE . 71.9 t . . . . . 0 N--CA 1.456 -0.172 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.068 -179.879 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.72 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 121.087 0.47 . . . . 0.0 111.732 . . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.6 p -85.92 -169.15 2.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.807 -179.976 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.8 tpp85 -63.19 -37.06 85.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.958 179.882 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.412 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . . . -72.6 -25.1 61.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.745 -179.594 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.72 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 7.3 m-20 -86.27 -49.2 7.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.582 0.23 . . . . 0.0 110.822 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.511 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -56.77 -44.01 81.39 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.953 0.406 . . . . 0.0 110.054 179.442 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.412 ' HG2' ' HA ' ' A' ' 8' ' ' ALA . 0.5 OUTLIER -62.21 -30.77 71.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.992 179.008 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -68.38 -40.7 81.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.767 179.021 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.528 ' O ' HD13 ' A' ' 17' ' ' LEU . 1.4 tp -56.37 -31.44 63.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.086 179.103 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.745 HD12 ' HG2' ' A' ' 21' ' ' ARG . 12.7 mt -70.31 -48.53 56.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.889 179.712 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -49.57 -29.16 6.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.98 0.419 . . . . 0.0 110.666 179.788 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.1 mp -87.65 -22.9 24.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.265 179.798 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.699 HD11 HD11 ' A' ' 55' ' ' LEU . 6.6 mp -88.28 0.34 56.25 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 179.572 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 54.4 19.05 2.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.379 0.609 . . . . 0.0 110.042 -178.893 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.799 HD21 HD21 ' A' ' 23' ' ' LEU . 1.9 tt -109.78 110.27 59.31 Favored Pre-proline 0 N--CA 1.448 -0.533 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.835 -179.244 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -46.19 168.24 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.88 2.386 . . . . 0.0 113.699 -178.604 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.745 ' HG2' HD12 ' A' ' 14' ' ' LEU . 26.1 mtm105 -90.32 -3.3 57.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.041 179.291 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -80.85 -29.44 35.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.874 0.369 . . . . 0.0 111.482 -178.776 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.799 HD21 HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -105.1 11.65 32.99 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.275 179.992 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.6 ' HE3' HD11 ' A' ' 14' ' ' LEU . 27.9 t-105 -54.91 114.68 1.83 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.019 179.424 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 139.87 -26.78 2.6 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.493 -179.925 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.4 ' O ' ' HG2' ' A' ' 30' ' ' MET . 9.8 t70 -79.09 88.49 4.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.674 0.273 . . . . 0.0 111.066 -179.86 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.814 ' CE1' HG11 ' A' ' 66' ' ' VAL . 5.4 t80 -45.7 -32.5 2.47 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.803 -179.695 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.67 -33.23 71.29 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.896 -179.569 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.459 ' HB3' HD11 ' A' ' 19' ' ' LEU . 10.1 mtp180 -84.41 -36.09 22.64 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.565 0.209 . . . . 0.0 111.565 -179.341 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.623 ' HA ' HD13 ' A' ' 19' ' ' LEU . 15.4 ptp -74.24 -44.85 51.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.751 -0.204 . . . . 0.0 111.233 -179.729 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -64.89 -44.29 90.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.908 0.385 . . . . 0.0 110.498 179.669 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -34.16 72.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.147 179.384 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.05 -30.58 39.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.442 179.497 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.433 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 12.8 t80 -61.36 -48.14 82.65 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.343 179.614 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.6 -45.23 91.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.569 179.729 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.56 -30.86 68.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.888 179.864 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.555 ' HA ' HD23 ' A' ' 40' ' ' LEU . 22.0 mm100 -90.19 -24.67 20.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.084 179.872 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.7 m -79.71 -35.14 39.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.849 0.357 . . . . 0.0 110.794 179.948 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.477 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 2.7 mt -64.89 -24.68 67.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.168 -179.804 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.555 HD23 ' HA ' ' A' ' 37' ' ' GLN . 1.6 pp -90.16 -28.7 18.74 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.233 -179.885 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.583 HD21 HD22 ' A' ' 51' ' ' LEU . 15.4 mt -93.4 23.02 4.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.947 0.403 . . . . 0.0 110.59 179.21 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.472 ' ND1' ' HD2' ' A' ' 43' ' ' PRO . 86.3 t60 -90.18 137.62 27.75 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.669 179.855 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.472 ' HD2' ' ND1' ' A' ' 42' ' ' HIS . 91.1 Cg_exo -41.87 -53.37 3.45 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.863 2.375 . . . . 0.0 113.225 -179.799 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.415 ' HB2' ' CD2' ' A' ' 42' ' ' HIS . 6.6 m-20 -67.57 -11.6 58.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.687 -179.626 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' A' ' 39' ' ' LEU . 10.1 mmtm -113.9 31.02 6.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.783 0.325 . . . . 0.0 110.779 179.927 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 57.45 63.68 5.07 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 179.964 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -128.56 163.0 22.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 -179.924 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.565 ' HB2' HD13 ' A' ' 51' ' ' LEU . 1.6 m -90.13 152.84 20.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 111.138 -179.878 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.56 -44.86 18.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.739 179.803 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.429 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -60.41 -27.01 67.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.183 -179.949 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.583 HD22 HD21 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -78.73 -48.98 13.86 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.101 -179.916 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -45.38 87.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.208 -179.628 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -69.47 -35.87 76.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.24 -179.6 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.532 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -63.65 -46.74 84.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.097 0.475 . . . . 0.0 110.351 179.707 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.699 HD11 HD11 ' A' ' 17' ' ' LEU . 12.6 tp -68.13 -43.29 78.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.948 -179.919 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.09 -33.04 72.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.904 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.4 -36.89 45.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.737 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.536 ' HA ' HD23 ' A' ' 5' ' ' LEU . 0.5 OUTLIER -77.52 -25.45 50.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 179.804 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.528 ' HB2' HD11 ' A' ' 13' ' ' LEU . 61.2 t-105 -90.87 -25.57 19.78 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.434 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.425 ' HA2' ' NZ ' ' A' ' 63' ' ' LYS . . . -67.71 -68.6 1.6 Allowed Glycine 0 C--N 1.336 0.566 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.824 179.857 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.563 ' CG2' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -50.47 -48.86 56.45 Favored 'General case' 0 CA--C 1.51 -0.562 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 179.276 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.516 ' N ' ' CG2' ' A' ' 61' ' ' THR . 5.6 t80 -44.45 -52.48 7.81 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 113.395 -1.729 . . . . 0.0 109.347 177.597 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.617 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 0.1 OUTLIER -55.73 -41.74 74.33 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 114.08 -1.418 . . . . 0.0 111.011 179.382 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.43 ' HB ' ' O ' ' A' ' 61' ' ' THR . 94.8 m -51.3 -35.59 38.52 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 178.891 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.32 -31.99 22.72 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.589 178.318 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.814 HG11 ' CE1' ' A' ' 27' ' ' PHE . 50.1 t . . . . . 0 C--O 1.231 0.088 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.822 -179.952 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.818 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.125 0.488 . . . . 0.0 111.582 . . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.2 p -88.87 177.51 6.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.295 -178.813 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.453 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 36.3 ttm180 -50.84 -35.19 31.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.049 -179.93 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.92 -44.24 70.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.635 -179.692 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.818 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 42.9 m-20 -73.91 -43.38 58.58 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 121.097 -0.241 . . . . 0.0 111.258 -179.541 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.798 ' HB3' HD13 ' A' ' 5' ' ' LEU . 4.3 pttp -67.77 -33.93 75.8 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.877 0.37 . . . . 0.0 110.3 179.501 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.453 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 23.5 tp10 -65.62 -34.83 79.15 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.112 0.482 . . . . 0.0 109.716 178.908 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -66.46 -34.43 77.92 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.662 179.014 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.779 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.9 tp -62.46 -31.74 72.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.124 179.291 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.852 HD22 ' O ' ' A' ' 19' ' ' LEU . 13.2 mt -75.04 -39.31 61.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.89 179.624 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.1 -41.13 67.94 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.021 -179.75 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.475 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 8.4 mp -79.15 -16.26 56.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.632 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.779 HD23 ' O ' ' A' ' 13' ' ' LEU . 3.2 mm? -90.2 -9.37 48.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.972 -179.77 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.22 20.84 1.99 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 121.351 0.596 . . . . 0.0 109.931 -178.637 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.944 HD21 HD21 ' A' ' 23' ' ' LEU . 3.1 tt -111.01 111.09 56.44 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.082 -179.016 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.441 ' O ' HD13 ' A' ' 23' ' ' LEU . 87.9 Cg_exo -43.98 166.92 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.919 2.413 . . . . 0.0 113.575 -178.828 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.2 -9.21 48.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.425 179.607 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -71.95 -35.27 69.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.151 0.501 . . . . 0.0 110.911 -179.215 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.944 HD21 HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -98.5 8.67 44.59 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.26 179.81 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.485 ' CE3' HD11 ' A' ' 14' ' ' LEU . 37.4 t-105 -52.6 100.46 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.019 179.417 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 158.66 -25.02 0.36 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.603 -179.938 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -79.66 89.03 5.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.754 0.312 . . . . 0.0 111.078 -179.817 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.474 ' CE1' HG11 ' A' ' 66' ' ' VAL . 35.7 t80 -47.75 -49.14 29.29 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.091 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.496 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -57.41 -33.63 66.55 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.598 -179.876 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.16 -46.72 14.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.643 0.258 . . . . 0.0 111.634 -179.624 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.626 ' HA ' HD13 ' A' ' 19' ' ' LEU . 1.5 ptm -69.36 -44.57 71.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.45 -179.456 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -61.47 -42.72 99.22 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.529 179.701 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.512 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -54.92 -43.88 73.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.83 0.348 . . . . 0.0 110.371 179.647 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.742 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -67.91 -34.03 75.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.748 179.524 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.496 ' CE2' ' CG ' ' A' ' 59' ' ' TRP . 8.9 t80 -54.55 -38.64 66.86 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.681 179.573 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.82 -37.05 41.63 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.288 -179.828 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.512 ' HG2' ' O ' ' A' ' 32' ' ' GLN . 47.0 mm-40 -61.6 -45.7 92.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.857 0.36 . . . . 0.0 110.87 -179.847 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.543 ' HA ' HD21 ' A' ' 40' ' ' LEU . 23.4 mm100 -80.73 -19.21 45.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.048 179.936 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.1 m -71.99 -34.77 69.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.998 0.428 . . . . 0.0 110.161 179.269 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 60.2 mt -66.02 -38.31 88.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.872 179.891 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.543 HD21 ' HA ' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -81.11 -14.92 57.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.034 179.666 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.437 HD22 ' HB3' ' A' ' 51' ' ' LEU . 14.5 mt -95.46 6.08 49.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.463 179.532 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.478 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 19.9 t-80 -87.9 136.15 32.79 Favored Pre-proline 0 C--N 1.332 -0.181 0 CA-C-O 120.719 0.295 . . . . 0.0 110.503 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.478 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 87.9 Cg_exo -45.76 -33.68 10.71 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.988 2.459 . . . . 0.0 113.25 -179.582 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.01 -12.92 60.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.602 -179.305 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -120.89 30.99 6.6 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.765 0.317 . . . . 0.0 111.079 -179.933 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 60.74 54.62 35.46 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.579 179.86 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -116.83 169.57 13.1 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.41 179.896 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.476 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.7 OUTLIER -90.06 149.21 22.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.9 0.381 . . . . 0.0 110.942 -179.917 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -83.3 -37.75 23.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.861 179.908 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.509 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -72.39 -28.82 63.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.492 -179.761 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.476 HD13 ' HB2' ' A' ' 48' ' ' SER . 0.2 OUTLIER -73.99 -49.79 22.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.854 0.359 . . . . 0.0 111.038 -179.784 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.471 ' HE2' ' O ' ' A' ' 52' ' ' MET . 0.0 OUTLIER -57.57 -38.4 74.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.378 -179.705 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -78.32 -32.19 49.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.984 -179.857 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.509 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 1.1 tp10 -64.77 -49.02 72.37 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.091 0.472 . . . . 0.0 110.09 179.224 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.507 HD12 HD12 ' A' ' 13' ' ' LEU . 10.1 tp -61.6 -39.24 90.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.817 179.853 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -60.64 -33.01 72.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.804 179.99 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.77 -36.59 62.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -179.902 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.529 ' HA ' HD23 ' A' ' 5' ' ' LEU . 17.5 mt -79.62 -28.67 40.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.833 179.933 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.672 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 71.5 t-105 -89.81 -18.61 25.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.025 179.53 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.415 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -75.21 -60.88 3.16 Favored Glycine 0 C--N 1.334 0.45 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.082 179.382 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.569 ' CG2' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -56.93 -50.18 73.35 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 179.434 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.766 ' O ' ' HG3' ' A' ' 65' ' ' GLU . 4.7 t80 -45.18 -49.66 11.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 113.442 -1.708 . . . . 0.0 109.679 178.038 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.672 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 1.7 ttmt -57.58 -40.26 78.61 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.729 179.54 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' ' 61' ' ' THR . 86.9 m -53.12 -44.4 67.64 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 178.871 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.766 ' HG3' ' O ' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -82.91 -19.25 37.67 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.246 178.645 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.564 ' HB ' ' HA ' ' A' ' 63' ' ' LYS . 6.4 t . . . . . 0 C--N 1.339 0.127 0 CA-C-O 120.784 0.326 . . . . 0.0 110.449 179.605 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.734 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 1.9 pt? . . . . . 0 C--O 1.23 0.075 0 CA-C-O 121.004 0.43 . . . . 0.0 110.578 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.9 p -76.64 173.18 11.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.419 -178.85 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -50.27 -33.67 20.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.736 179.834 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.468 ' O ' ' HB2' ' A' ' 12' ' ' ARG . . . -69.86 -26.16 64.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.193 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.734 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 2.0 m-20 -82.7 -55.41 4.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.05 -179.855 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -40.33 87.81 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.908 0.385 . . . . 0.0 110.24 179.844 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -68.98 -31.19 69.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.065 179.13 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.468 ' HB2' ' O ' ' A' ' 8' ' ' ALA . 13.3 ttm-85 -73.97 -36.81 64.59 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.071 179.184 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 tp -63.22 -38.02 89.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.919 178.977 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.837 HD21 ' HE3' ' A' ' 24' ' ' TRP . 14.6 mt -63.72 -47.81 79.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.831 179.827 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -58.84 -23.62 60.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.981 179.855 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.0 mt -89.91 -30.47 17.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.965 -179.862 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.751 HD11 HD11 ' A' ' 55' ' ' LEU . 8.8 mp -85.65 -0.23 54.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.297 -0.411 . . . . 0.0 112.053 179.963 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.44 18.89 1.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.219 0.533 . . . . 0.0 110.435 -179.062 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.738 ' O ' HD22 ' A' ' 14' ' ' LEU . 3.5 tt -104.56 110.79 64.83 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.876 -179.178 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.514 ' HB2' HD21 ' A' ' 23' ' ' LEU . 53.0 Cg_exo -52.67 176.61 0.07 OUTLIER 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.902 2.401 . . . . 0.0 112.775 -179.582 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 46.5 mtp85 -80.76 -26.65 37.15 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.061 -179.475 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.26 -11.71 10.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.934 -179.687 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.778 HD23 ' N ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -128.67 20.92 6.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.097 0.475 . . . . 0.0 110.538 179.969 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.837 ' HE3' HD21 ' A' ' 14' ' ' LEU . 36.9 t-105 -53.25 -17.86 2.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.268 179.791 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -101.16 -19.72 15.89 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.294 179.363 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -63.93 89.96 0.06 Allowed 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.945 0.403 . . . . 0.0 110.8 179.945 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.502 ' CE1' HG11 ' A' ' 66' ' ' VAL . 19.0 t80 -59.3 -42.1 90.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.372 -179.596 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.11 -32.0 82.7 Favored Glycine 0 CA--C 1.518 0.261 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.919 -179.563 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.23 -45.68 25.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.784 0.326 . . . . 0.0 111.232 -179.589 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.498 ' HA ' HD13 ' A' ' 19' ' ' LEU . 11.4 ptp -63.67 -43.37 96.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.131 -179.685 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -61.82 -37.79 85.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 0.0 110.342 179.69 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -66.7 -36.04 81.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.176 179.451 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.557 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -81.14 -32.31 33.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.57 179.559 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.467 ' CE2' ' CG ' ' A' ' 59' ' ' TRP . 7.8 t80 -61.44 -46.36 90.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.295 179.587 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.0 tttp -68.58 -40.04 80.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.504 179.704 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -67.13 -33.25 75.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.614 179.62 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.432 ' HG3' ' HA ' ' A' ' 17' ' ' LEU . 27.4 mm100 -86.35 -22.95 26.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.145 -179.882 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.64 -28.49 66.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.572 179.525 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.414 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 1.3 mt -77.21 -45.94 24.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.218 -179.703 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.47 ' HA ' ' HB3' ' A' ' 45' ' ' LYS . 3.4 pp -75.29 -8.86 57.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.671 0.272 . . . . 0.0 111.443 -179.796 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.499 HD22 ' HB3' ' A' ' 51' ' ' LEU . 19.7 mt -95.28 3.41 54.54 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.15 179.38 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.447 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 25.3 t60 -90.1 140.18 27.37 Favored Pre-proline 0 CA--C 1.531 0.23 0 CA-C-O 120.735 0.302 . . . . 0.0 110.587 179.766 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.447 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 82.0 Cg_exo -45.45 -25.82 2.39 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 123.143 2.562 . . . . 0.0 113.975 -179.411 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.31 -22.86 32.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.588 0.232 . . . . 0.0 111.512 -179.257 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.47 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -108.71 30.43 6.51 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.845 0.355 . . . . 0.0 110.79 -179.752 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.11 52.23 28.94 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.5 179.852 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -127.42 161.31 21.54 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.574 179.913 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.15 151.36 21.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.759 0.314 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -70.69 -47.02 61.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.662 179.68 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.521 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -65.41 -35.23 80.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.18 179.961 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.499 ' HB3' HD22 ' A' ' 41' ' ' LEU . 9.9 mt -66.26 -52.95 42.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.374 -179.628 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -45.69 64.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 0.0 111.127 -179.867 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -73.44 -30.52 63.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.769 179.801 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.521 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 9.8 tt0 -63.07 -33.56 75.71 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.971 0.415 . . . . 0.0 110.154 179.403 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.751 HD11 HD11 ' A' ' 17' ' ' LEU . 10.8 tp -69.46 -46.39 66.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.657 179.791 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -62.97 -34.1 76.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.679 179.82 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 73.2 m -74.95 -33.3 61.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.547 179.722 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.612 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 22.5 mt -83.28 -29.58 28.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.516 179.716 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.589 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 70.6 t-105 -83.11 -13.39 55.74 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.912 179.502 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -80.73 -63.92 1.86 Allowed Glycine 0 C--N 1.338 0.646 0 C-N-CA 121.02 -0.61 . . . . 0.0 111.78 179.069 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.602 ' CG2' HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -53.46 -50.31 65.58 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 107.459 -1.312 . . . . 0.0 107.459 178.877 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.558 ' N ' ' CG2' ' A' ' 61' ' ' THR . 2.7 t80 -44.85 -50.27 10.4 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 113.464 -1.698 . . . . 0.0 109.517 178.013 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.589 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 2.2 ttmt -58.84 -38.83 79.58 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.288 -1.324 . . . . 0.0 111.163 179.543 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 44.0 m -46.9 -37.72 9.34 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.155 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -85.58 -32.23 22.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.668 178.416 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.559 ' HB ' ' HA ' ' A' ' 63' ' ' LYS . 72.5 t . . . . . 0 N--CA 1.456 -0.159 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.3 -179.785 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.795 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.212 0.529 . . . . 0.0 111.738 . . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.3 p -89.43 -169.02 2.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.016 -179.372 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.5 mtt-85 -64.44 -34.28 77.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.591 179.83 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.66 -37.56 76.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.355 -179.78 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.795 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -79.33 -51.5 9.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.618 -0.264 . . . . 0.0 110.984 -179.8 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.581 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -57.33 -33.12 67.4 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.032 0.444 . . . . 0.0 109.897 179.374 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.7 tp10 -70.76 -31.29 68.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.464 178.439 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 ttt85 -63.7 -35.88 82.02 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.733 178.908 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.582 ' O ' HD23 ' A' ' 17' ' ' LEU . 3.1 tp -64.53 -37.22 86.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.741 179.108 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.662 HD22 ' O ' ' A' ' 19' ' ' LEU . 15.7 mt -66.75 -41.28 88.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.142 179.999 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -54.22 -44.99 72.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.735 -179.995 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.432 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 0.9 OUTLIER -81.81 -15.9 52.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.996 179.834 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.625 HD21 HD11 ' A' ' 55' ' ' LEU . 0.7 OUTLIER -89.58 -4.39 57.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.641 -179.573 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 52.93 19.07 1.21 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.282 0.563 . . . . 0.0 110.598 -179.061 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.873 HD13 ' HA ' ' A' ' 30' ' ' MET . 5.4 tt -113.31 110.32 50.78 Favored Pre-proline 0 N--CA 1.449 -0.512 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.813 -179.626 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -52.25 170.81 0.22 Allowed 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.673 2.249 . . . . 0.0 113.448 -178.7 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.34 -9.0 54.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.768 179.1 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.16 -34.07 74.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.067 -179.271 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.838 ' CD2' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -105.7 11.42 32.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.088 179.879 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.611 ' HE3' HD21 ' A' ' 14' ' ' LEU . 63.4 t-105 -49.37 100.85 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.29 179.441 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.19 -22.97 0.87 Allowed Glycine 0 CA--C 1.521 0.419 0 C-N-CA 120.768 -0.73 . . . . 0.0 113.017 179.953 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.405 ' O ' ' HG2' ' A' ' 30' ' ' MET . 12.9 t0 -78.58 88.46 4.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.624 0.249 . . . . 0.0 111.155 -179.748 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.725 ' CE1' HG11 ' A' ' 66' ' ' VAL . 14.0 t80 -49.94 -36.35 27.54 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.974 -179.62 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.22 -39.72 94.56 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.769 -0.729 . . . . 0.0 113.228 -179.283 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.49 -43.59 26.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.682 0.241 . . . . 0.0 111.615 -179.277 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.873 ' HA ' HD13 ' A' ' 19' ' ' LEU . 13.3 ptp -62.04 -44.82 95.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.673 0.273 . . . . 0.0 110.948 -179.746 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -63.14 -37.71 88.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.427 179.688 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.7 tp60 -60.51 -32.95 71.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.329 179.501 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.54 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -80.59 -42.06 22.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.505 179.453 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.513 ' CE2' ' CD1' ' A' ' 59' ' ' TRP . 8.5 t80 -51.33 -41.78 60.8 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-O 121.11 0.481 . . . . 0.0 109.821 179.066 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? -73.18 -34.24 65.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.314 179.429 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -61.77 -41.15 97.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.637 179.774 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 0.8 OUTLIER -83.93 -22.75 31.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.079 179.78 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.3 m -64.07 -28.35 69.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.028 179.81 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 39' ' ' LEU . 17.9 mt -79.64 -31.65 41.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.497 -179.6 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.427 ' HG ' ' HA ' ' A' ' 37' ' ' GLN . 1.6 pp -89.16 -15.45 33.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.367 179.893 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 23.1 mt -94.2 -5.0 47.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.782 0.325 . . . . 0.0 110.699 179.151 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.494 ' HB3' ' HG2' ' A' ' 45' ' ' LYS . 26.1 t-80 -56.6 140.74 73.97 Favored Pre-proline 0 CA--C 1.531 0.245 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.32 179.384 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.484 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 36.2 Cg_endo -65.28 -18.04 59.75 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.566 2.177 . . . . 0.0 113.357 -179.029 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -85.81 -18.35 33.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.682 0.277 . . . . 0.0 111.329 -179.973 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.494 ' HG2' ' HB3' ' A' ' 42' ' ' HIS . 6.9 mmtt -100.94 31.24 3.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.9 0.381 . . . . 0.0 110.939 -179.648 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.65 45.69 93.93 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.675 179.845 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -107.19 175.34 20.43 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.324 179.845 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.411 ' HB2' HD12 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -90.13 145.75 24.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 110.889 179.972 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.465 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 1.8 m80 -82.92 -47.32 11.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 179.951 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.39 -25.42 68.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.5 -179.878 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.411 HD12 ' HB2' ' A' ' 48' ' ' SER . 7.7 mt -76.97 -48.65 17.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.869 0.366 . . . . 0.0 111.092 -179.842 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.62 -40.22 38.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.351 -179.699 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -71.46 -29.83 65.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.728 179.886 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.38 -48.78 76.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.625 HD11 HD21 ' A' ' 17' ' ' LEU . 13.2 tp -63.28 -34.3 77.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.105 -179.755 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -69.94 -32.55 70.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.106 -179.914 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 54.7 p -74.87 -46.2 37.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.254 -179.726 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.487 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 5.4 mt -69.45 -29.28 66.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.01 -179.852 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.543 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 69.4 t-105 -89.37 -19.02 25.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.135 179.956 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.08 -66.5 1.96 Allowed Glycine 0 C--N 1.335 0.505 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.121 179.438 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.544 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -52.77 -49.84 64.74 Favored 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 179.277 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.544 ' N ' ' CG2' ' A' ' 61' ' ' THR . 4.5 t80 -43.78 -49.59 8.0 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 113.553 -1.658 . . . . 0.0 109.358 177.852 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.572 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 1.7 ttmt -57.26 -41.09 79.01 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.11 -1.404 . . . . 0.0 111.1 179.387 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.412 ' HB ' ' O ' ' A' ' 61' ' ' THR . 90.7 m -46.33 -37.35 7.33 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 121.282 0.563 . . . . 0.0 109.526 179.279 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -85.48 -32.83 22.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.757 178.43 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.725 HG11 ' CE1' ' A' ' 27' ' ' PHE . 69.6 t . . . . . 0 C--N 1.334 -0.071 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.087 -179.933 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.759 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.2 pt? . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.98 0.419 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.6 p -89.4 -177.3 5.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.506 -178.891 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.99 -34.4 65.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.87 179.889 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.11 -42.01 94.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.742 179.721 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.759 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 1.0 OUTLIER -64.78 -56.5 13.19 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.054 179.919 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.466 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -59.6 -40.86 88.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.858 0.361 . . . . 0.0 110.653 -179.709 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.432 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 2.5 mm-40 -64.67 -32.22 73.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.177 179.161 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -79.25 -36.92 39.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.158 179.307 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.823 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.5 tp -59.85 -32.7 70.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.113 179.233 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.868 HD22 ' O ' ' A' ' 19' ' ' LEU . 26.5 mt -72.33 -42.61 65.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.175 -179.821 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -51.64 -36.59 46.72 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.067 0.46 . . . . 0.0 110.442 179.665 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.76 HD21 HD22 ' A' ' 51' ' ' LEU . 8.6 mp -86.1 -19.06 30.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.966 179.487 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.823 HD23 ' O ' ' A' ' 13' ' ' LEU . 3.5 mm? -89.89 -7.09 55.02 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.301 -0.409 . . . . 0.0 112.051 -179.859 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 mttp 55.19 19.1 2.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.268 0.556 . . . . 0.0 110.315 -178.924 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.868 ' O ' HD22 ' A' ' 14' ' ' LEU . 3.8 tt -108.18 107.41 60.18 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.017 -179.383 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -47.21 169.91 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.217 2.612 . . . . 0.0 114.105 -178.672 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.559 ' HG2' ' CD1' ' A' ' 14' ' ' LEU . 4.3 mtm105 -88.87 -3.12 58.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.118 179.388 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.97 -27.6 33.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.957 0.408 . . . . 0.0 111.232 -178.849 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.726 ' O ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -112.78 14.99 19.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.365 -179.864 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.616 ' CE3' HD11 ' A' ' 14' ' ' LEU . 55.6 t-105 -52.93 102.44 0.05 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.426 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 151.99 -20.27 0.87 Allowed Glycine 0 CA--C 1.521 0.446 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.986 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -75.92 88.57 2.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.648 0.261 . . . . 0.0 111.164 -179.831 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.719 ' CD1' HG11 ' A' ' 66' ' ' VAL . 23.6 t80 -51.93 -29.24 19.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.83 -179.737 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.37 -43.14 39.22 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 113.306 -179.308 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 84.4 mtt-85 -76.12 -35.87 59.1 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -179.263 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.479 ' HA ' HD13 ' A' ' 19' ' ' LEU . 13.8 ptp -67.34 -43.34 81.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.685 0.279 . . . . 0.0 111.054 -179.951 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -64.03 -33.68 76.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.901 0.381 . . . . 0.0 110.155 179.359 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -62.88 -38.04 89.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.207 179.346 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.524 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -76.47 -41.57 46.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.666 179.563 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.428 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 14.9 t80 -53.03 -47.07 68.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.813 179.636 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.87 -38.06 76.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.019 -179.925 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.1 mm100 -64.91 -55.36 19.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.775 179.947 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.557 ' HA ' HD21 ' A' ' 40' ' ' LEU . 14.7 mm100 -69.33 -17.91 63.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.119 179.86 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.71 -28.59 68.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.991 0.424 . . . . 0.0 110.266 179.135 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 81.2 mt -71.4 -37.94 71.49 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.964 179.877 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.557 HD21 ' HA ' ' A' ' 37' ' ' GLN . 0.4 OUTLIER -84.89 -10.77 56.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.653 -179.89 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.751 HD22 ' HB3' ' A' ' 51' ' ' LEU . 31.4 mt -94.3 1.31 55.94 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.7 0.286 . . . . 0.0 111.312 179.559 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.469 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 7.1 t60 -82.81 140.92 43.79 Favored Pre-proline 0 C--N 1.332 -0.195 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.184 179.641 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 20.5 Cg_endo -62.64 -9.13 14.94 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.461 2.107 . . . . 0.0 113.01 -179.463 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -93.09 -27.08 17.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.774 0.321 . . . . 0.0 110.766 179.628 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.405 ' HD3' ' HB3' ' A' ' 42' ' ' HIS . 0.1 OUTLIER -99.09 29.08 4.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.747 179.825 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 62.57 82.45 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.47 -179.913 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -155.52 -177.89 29.2 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.492 179.958 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.6 ' HB2' HD12 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -90.26 136.14 33.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.854 0.359 . . . . 0.0 110.801 -179.959 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 58.3 m80 -67.61 -42.39 82.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.925 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.34 -34.98 77.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 -179.949 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.76 HD22 HD21 ' A' ' 16' ' ' LEU . 8.0 mt -60.22 -49.14 78.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.844 -179.958 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 11.0 tpt -53.09 -38.52 62.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.803 179.79 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -76.07 -30.72 58.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.81 179.825 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -61.62 -53.04 61.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.665 179.898 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.724 HD11 ' CD2' ' A' ' 17' ' ' LEU . 11.6 tp -58.42 -47.43 83.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.062 179.793 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.67 -45.22 89.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.905 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.7 m -72.89 -32.51 65.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.635 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 10.0 mt -81.16 -22.78 38.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 -179.941 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.541 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 58.9 t-105 -90.47 -26.62 19.72 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 179.851 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.447 ' HA2' ' NZ ' ' A' ' 63' ' ' LYS . . . -68.94 -65.33 2.66 Favored Glycine 0 C--N 1.333 0.41 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.047 179.344 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.735 HG23 HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -50.71 -49.53 57.42 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 178.821 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.522 ' N ' ' CG2' ' A' ' 61' ' ' THR . 5.6 t80 -45.62 -53.82 8.61 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 113.459 -1.7 . . . . 0.0 109.34 177.588 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.557 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 0.2 OUTLIER -53.2 -39.28 63.57 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.167 -1.379 . . . . 0.0 111.246 179.624 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.428 ' HB ' ' O ' ' A' ' 61' ' ' THR . 89.3 m -49.94 -37.61 32.73 Favored 'General case' 0 CA--C 1.521 -0.158 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 178.807 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -85.3 -29.74 24.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.878 178.305 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.719 HG11 ' CD1' ' A' ' 27' ' ' PHE . 83.9 t . . . . . 0 N--CA 1.456 -0.173 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.404 -179.73 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.734 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 1.6 pt? . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.967 0.413 . . . . 0.0 110.411 . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.3 p -65.58 177.15 1.26 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.527 -178.841 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -56.2 -36.48 68.45 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.424 179.724 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.52 -39.31 88.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.948 179.767 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.734 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 10.0 m-20 -70.85 -56.28 6.65 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.98 -179.799 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.599 ' HA ' HD11 ' A' ' 5' ' ' LEU . 6.9 ptmt -57.75 -35.65 71.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.615 -179.891 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.438 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 4.5 mm-40 -73.48 -33.15 64.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.067 0.461 . . . . 0.0 109.831 178.857 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 -68.66 -26.95 65.57 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.112 179.044 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.792 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.7 tp -72.32 -35.37 68.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.782 179.068 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.66 HD21 ' HE3' ' A' ' 24' ' ' TRP . 13.5 mt -69.25 -38.69 78.59 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.839 179.788 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -55.25 37.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.741 179.903 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.57 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -70.69 -11.36 60.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.163 179.89 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.792 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.1 mm? -90.14 -7.69 53.07 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.749 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.93 19.5 2.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.217 0.532 . . . . 0.0 110.286 -178.744 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.786 HD21 ' CD2' ' A' ' 23' ' ' LEU . 6.4 tt -113.01 113.26 49.58 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.571 -179.574 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.441 ' O ' HD23 ' A' ' 19' ' ' LEU . 84.0 Cg_exo -46.48 166.07 0.08 OUTLIER 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.92 2.413 . . . . 0.0 113.582 -178.531 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.434 ' HA ' HD13 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -90.16 -3.3 57.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.192 179.401 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -78.96 -32.53 45.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.038 0.447 . . . . 0.0 111.065 -178.956 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.786 ' CD2' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -101.06 15.16 29.62 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.991 179.983 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.66 ' HE3' HD21 ' A' ' 14' ' ' LEU . 53.6 t-105 -54.84 98.37 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.195 179.533 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 156.41 -28.73 0.56 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.552 -0.832 . . . . 0.0 112.91 179.873 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -75.85 95.29 3.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.74 0.305 . . . . 0.0 111.285 -179.714 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.713 ' CE1' HG11 ' A' ' 66' ' ' VAL . 35.3 t80 -52.05 -33.62 39.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.58 -179.831 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.13 -34.16 80.42 Favored Glycine 0 CA--C 1.517 0.198 0 C-N-CA 120.731 -0.747 . . . . 0.0 113.141 -179.407 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.4 mtt85 -80.98 -46.19 15.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.813 0.307 . . . . 0.0 111.333 -179.626 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.761 ' HA ' HD13 ' A' ' 19' ' ' LEU . 16.1 ptp -59.69 -45.62 91.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.684 0.278 . . . . 0.0 110.933 -179.864 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -63.22 -43.44 98.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.368 179.668 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -55.78 -34.31 65.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.184 0.516 . . . . 0.0 110.088 179.214 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.589 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -80.1 -48.09 13.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.31 179.277 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.459 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 15.3 t80 -47.55 -43.84 25.44 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.26 179.853 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -74.32 -36.54 63.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.936 0.398 . . . . 0.0 110.752 179.982 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -36.65 84.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.673 179.858 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.57 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 21.7 mm100 -90.13 -19.25 24.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.21 -179.929 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.3 m -75.27 -29.98 60.3 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.903 0.383 . . . . 0.0 110.664 179.57 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.9 mt -64.4 -31.79 73.15 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.126 -179.823 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.0 pp -88.15 -18.39 28.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.844 179.928 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.673 HD22 ' HB3' ' A' ' 51' ' ' LEU . 56.3 mt -88.22 13.06 12.24 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 120.76 0.314 . . . . 0.0 111.001 179.24 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.448 ' CD2' ' HB2' ' A' ' 44' ' ' ASP . 49.6 t60 -89.58 130.92 41.6 Favored Pre-proline 0 CA--C 1.53 0.199 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.358 179.767 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.445 ' HD2' ' ND1' ' A' ' 42' ' ' HIS . 13.3 Cg_endo -56.31 -15.12 13.91 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.71 2.273 . . . . 0.0 113.051 -179.613 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.448 ' HB2' ' CD2' ' A' ' 42' ' ' HIS . 1.9 t70 -82.44 -20.35 37.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.689 0.28 . . . . 0.0 111.112 179.888 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.6 mmtt -108.19 30.92 5.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.926 0.393 . . . . 0.0 110.938 -179.876 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.44 50.95 34.51 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.649 -179.991 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -122.32 172.09 15.56 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.387 179.834 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.819 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -89.33 150.83 22.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.814 0.34 . . . . 0.0 110.893 179.999 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.435 ' CE1' ' HG3' ' A' ' 43' ' ' PRO . 5.3 m-70 -79.17 -31.41 43.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.87 -35.53 64.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.52 -179.725 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.819 HD13 ' HB2' ' A' ' 48' ' ' SER . 3.2 mp -62.82 -51.71 65.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.279 -179.61 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 9.2 tpt -54.08 -46.72 72.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.352 -179.714 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -71.98 -24.84 61.65 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.079 -179.961 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -47.87 70.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.991 0.424 . . . . 0.0 110.65 179.634 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.516 HD11 HD21 ' A' ' 17' ' ' LEU . 12.7 tp -64.1 -37.8 88.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.923 -179.943 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.43 -36.87 85.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.765 179.901 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.37 -30.98 68.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 179.806 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.624 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 18.4 mt -83.77 -30.77 26.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.7 179.731 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.579 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 62.5 t-105 -88.62 -13.09 40.75 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.924 179.415 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.423 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -78.46 -63.23 2.16 Favored Glycine 0 C--N 1.336 0.576 0 C-N-CA 121.175 -0.536 . . . . 0.0 112.198 179.39 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.588 HG21 ' HB3' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -55.63 -49.7 72.16 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 179.268 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.553 ' N ' ' CG2' ' A' ' 61' ' ' THR . 5.5 t80 -44.2 -48.85 9.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 113.484 -1.689 . . . . 0.0 109.482 178.067 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.579 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 2.6 ttmt -57.81 -34.94 70.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.037 -1.438 . . . . 0.0 110.996 179.754 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.2 m -47.99 -37.64 15.15 Favored 'General case' 0 CA--C 1.52 -0.2 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.08 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -84.79 -32.36 23.41 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.536 178.646 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.713 HG11 ' CE1' ' A' ' 27' ' ' PHE . 90.6 t . . . . . 0 N--CA 1.453 -0.311 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.813 179.841 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.768 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.241 0.543 . . . . 0.0 111.996 . . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.4 p -90.4 -170.08 2.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.511 -179.105 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.417 ' HA ' ' CG ' ' A' ' 10' ' ' LYS . 34.1 mtp180 -61.76 -35.87 79.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.778 179.776 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.6 -42.79 81.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.319 -179.684 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.768 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 13.8 m-20 -72.39 -54.36 9.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.83 -179.926 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.417 ' CG ' ' HA ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -55.1 -33.03 62.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.831 0.348 . . . . 0.0 110.298 179.642 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -66.19 -37.31 85.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.089 179.153 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 -63.64 -37.5 87.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.856 179.436 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.661 ' O ' HD23 ' A' ' 17' ' ' LEU . 4.3 tp -63.4 -34.03 76.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.87 178.938 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.718 HD22 ' O ' ' A' ' 19' ' ' LEU . 11.2 mt -68.66 -38.81 80.71 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.139 -179.921 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -58.33 -44.79 88.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.4 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 1.0 OUTLIER -77.1 -13.08 60.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.144 179.836 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.661 HD23 ' O ' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -90.57 -12.79 36.01 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.724 -179.781 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.5 18.73 2.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.219 0.533 . . . . 0.0 110.4 -178.69 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.718 ' O ' HD22 ' A' ' 14' ' ' LEU . 1.6 tt -106.82 114.64 61.48 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.277 -179.604 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.525 ' HD2' HD11 ' A' ' 23' ' ' LEU . 44.3 Cg_exo -52.18 -179.48 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.518 2.146 . . . . 0.0 112.637 -179.392 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.6 mtt180 -84.98 -25.01 28.02 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.819 -179.508 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -64.21 -8.16 11.57 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.196 -0.456 . . . . 0.0 112.022 -179.755 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.771 HD23 ' N ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -132.98 17.19 4.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.865 0.364 . . . . 0.0 110.896 -179.785 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.629 ' HE3' HD21 ' A' ' 14' ' ' LEU . 39.7 t-105 -53.14 -23.01 7.17 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.045 179.837 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.2 -22.96 23.58 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.182 179.495 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -58.72 93.84 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.882 0.373 . . . . 0.0 110.729 179.844 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.562 ' CE1' HG11 ' A' ' 66' ' ' VAL . 15.0 t80 -58.51 -36.73 74.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.403 -179.656 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -69.02 -35.47 78.72 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.851 -0.69 . . . . 0.0 113.485 -179.133 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.444 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -83.89 -28.65 27.79 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -178.939 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.514 ' HA ' HD13 ' A' ' 19' ' ' LEU . 9.9 ptp -73.12 -44.88 59.64 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.889 -179.915 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.428 ' N ' ' HG3' ' A' ' 30' ' ' MET . 7.2 tt0 -68.41 -36.57 79.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.897 0.379 . . . . 0.0 110.29 179.512 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.441 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -61.39 -38.14 85.96 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.22 179.306 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.558 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -77.05 -41.92 40.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.934 179.82 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.47 ' CE2' ' CG ' ' A' ' 59' ' ' TRP . 8.2 t80 -49.82 -46.16 50.85 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.848 0.356 . . . . 0.0 110.7 179.858 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -76.42 -35.87 58.33 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.975 179.97 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.426 ' HB2' ' O ' ' A' ' 32' ' ' GLN . 0.3 OUTLIER -66.14 -34.57 78.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.738 179.825 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.643 ' O ' HD12 ' A' ' 41' ' ' LEU . 28.4 mm100 -87.62 -20.1 26.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.162 179.938 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 86.2 p -76.06 -32.51 59.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.669 179.577 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.0 mt -65.45 -35.35 80.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.996 -179.837 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 2.7 pp -86.12 -15.39 41.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.731 0.3 . . . . 0.0 111.039 179.772 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.643 HD12 ' O ' ' A' ' 37' ' ' GLN . 3.9 mt -95.14 7.28 46.61 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.906 0.384 . . . . 0.0 110.783 179.311 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.489 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 7.3 t-80 -70.51 141.74 88.34 Favored Pre-proline 0 N--CA 1.454 -0.239 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.524 179.95 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.489 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 28.6 Cg_endo -64.22 -19.16 65.56 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.807 2.338 . . . . 0.0 113.497 -178.961 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.04 -20.25 26.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.672 0.272 . . . . 0.0 111.222 -179.986 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.6 mmtt -99.14 30.33 3.5 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.897 0.379 . . . . 0.0 110.769 179.732 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.37 75.4 0.35 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.622 179.992 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -155.62 174.45 33.65 Favored Glycine 0 C--N 1.329 0.181 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.477 179.893 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.676 ' CB ' HD13 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -90.24 118.69 29.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.815 0.341 . . . . 0.0 110.744 179.962 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 46.9 p-80 -59.38 -41.8 90.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.197 -179.79 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.6 -35.7 63.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.742 0.306 . . . . 0.0 111.478 -179.752 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.676 HD13 ' CB ' ' A' ' 48' ' ' SER . 3.4 mp -63.36 -54.22 40.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.019 -179.942 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.12 -43.34 66.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 -179.782 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -70.0 -34.8 73.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.764 179.877 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -64.05 -36.85 85.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.596 179.793 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.583 HD11 HD21 ' A' ' 17' ' ' LEU . 12.3 tp -67.69 -35.59 79.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.798 179.89 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -63.03 -31.79 73.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.1 t -70.45 -47.92 58.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.186 -179.932 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.552 ' HB3' ' HB2' ' A' ' 13' ' ' LEU . 2.4 mt -70.26 -29.86 66.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.103 -179.798 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.574 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 68.0 t-105 -88.04 -18.28 29.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.319 179.784 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.14 -65.15 2.25 Favored Glycine 0 C--N 1.334 0.446 0 C-N-CA 120.942 -0.646 . . . . 0.0 112.16 179.44 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.537 HG21 ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -53.33 -49.86 66.19 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 107.376 -1.342 . . . . 0.0 107.376 179.208 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.531 ' N ' ' CG2' ' A' ' 61' ' ' THR . 3.7 t80 -44.73 -49.28 10.62 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 113.481 -1.69 . . . . 0.0 109.668 177.787 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.574 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 1.7 ttmt -57.45 -38.19 74.06 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.327 -1.306 . . . . 0.0 111.456 -179.971 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.1 m -47.02 -37.45 9.31 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.353 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -85.44 -32.83 22.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.723 178.187 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.562 HG11 ' CE1' ' A' ' 27' ' ' PHE . 81.7 t . . . . . 0 N--CA 1.457 -0.104 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.872 179.84 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.881 HD13 ' HB3' ' A' ' 10' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.878 0.371 . . . . 0.0 111.553 . . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.6 p -89.78 -177.9 5.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.773 179.796 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.01 -35.25 64.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.277 -179.843 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.78 -34.37 64.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.447 -179.811 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.668 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 24.4 m-20 -78.2 -50.57 11.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.017 -179.893 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.881 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -60.0 -35.26 74.65 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.005 0.431 . . . . 0.0 110.04 179.442 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.459 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 2.2 mm-40 -69.61 -33.12 72.22 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 178.857 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.6 -33.58 75.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.798 178.963 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.673 HD12 HD12 ' A' ' 55' ' ' LEU . 1.9 tp -61.2 -38.76 87.72 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.808 179.036 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.693 HD22 ' O ' ' A' ' 19' ' ' LEU . 36.8 mt -66.77 -35.57 80.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.103 179.753 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -54.32 -61.88 2.02 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.736 179.939 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.7 mp -68.27 -12.41 60.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 179.546 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.667 ' O ' ' HB1' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -90.08 -10.25 45.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.967 -179.8 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.31 19.11 2.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.359 0.599 . . . . 0.0 110.11 -178.875 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 1.117 HD11 HD21 ' A' ' 23' ' ' LEU . 2.6 tm? -111.97 98.9 43.87 Favored Pre-proline 0 N--CA 1.446 -0.637 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.48 -179.341 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.432 ' O ' HD13 ' A' ' 23' ' ' LEU . 88.5 Cg_exo -39.92 165.02 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.488 2.792 . . . . 0.0 114.134 -178.306 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.441 ' HA ' HD13 ' A' ' 14' ' ' LEU . 4.6 ptt-85 -90.21 -5.37 56.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.023 179.164 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -34.85 60.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.977 0.417 . . . . 0.0 110.958 -179.3 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.117 HD21 HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -98.31 4.12 48.69 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.22 179.867 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.679 ' CE3' HD11 ' A' ' 14' ' ' LEU . 59.7 t-105 -44.68 98.29 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.357 179.607 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.96 -26.1 0.63 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.607 -179.998 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.439 ' O ' ' HG2' ' A' ' 30' ' ' MET . 12.8 t0 -81.91 82.5 7.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.731 0.301 . . . . 0.0 111.018 -179.834 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.807 ' CD1' HG11 ' A' ' 66' ' ' VAL . 28.7 t80 -42.06 -31.34 0.35 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.917 -179.77 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.451 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -67.95 -37.96 88.4 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.931 -179.674 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.0 mtm180 -81.09 -49.12 11.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.663 0.268 . . . . 0.0 111.567 -179.427 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.711 ' HA ' ' HG ' ' A' ' 19' ' ' LEU . 8.4 ptp -58.53 -47.18 85.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.467 -179.467 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -63.82 -40.31 96.31 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.52 179.844 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.451 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.7 OUTLIER -58.15 -39.96 80.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.078 0.466 . . . . 0.0 110.223 179.348 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.667 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -71.37 -39.6 71.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.289 179.188 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.458 ' CE2' ' CB ' ' A' ' 59' ' ' TRP . 14.0 t80 -54.11 -46.55 72.15 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.562 179.441 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.5 mttm -64.27 -43.61 94.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.086 179.937 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -58.78 -35.89 73.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.875 0.369 . . . . 0.0 110.771 179.905 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.475 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 26.5 mm-40 -90.26 -19.89 23.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.231 -179.891 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.3 p -72.45 -31.42 65.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.78 0.324 . . . . 0.0 110.605 179.739 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 mt -68.44 -33.7 74.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.455 -179.654 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.7 pp -86.22 -15.67 40.1 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.651 0.262 . . . . 0.0 110.845 179.643 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.515 HD22 ' HB3' ' A' ' 51' ' ' LEU . 35.1 mt -90.72 4.86 50.35 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 120.786 0.326 . . . . 0.0 110.798 179.377 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.527 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 2.6 t-80 -90.15 137.72 27.74 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.435 179.921 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.527 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 18.5 Cg_endo -60.03 -13.94 25.8 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.6 2.2 . . . . 0.0 112.766 -179.86 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.77 -18.5 34.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.672 0.272 . . . . 0.0 110.907 179.562 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -117.54 30.21 7.41 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.026 -179.944 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 75.51 42.14 28.04 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.705 179.83 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -122.13 167.24 14.7 Favored Glycine 0 C--N 1.329 0.155 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 179.871 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.8 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -90.19 154.71 19.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.705 0.288 . . . . 0.0 110.637 179.938 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.481 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 10.4 t-160 -83.23 -29.69 28.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.025 -179.941 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.94 -34.54 44.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.401 -179.786 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.8 HD13 ' HB2' ' A' ' 48' ' ' SER . 1.6 mp -63.74 -51.35 65.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.783 -179.878 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.414 ' HE2' ' O ' ' A' ' 52' ' ' MET . 10.8 tpt -57.22 -30.98 65.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.98 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 12.6 mm-40 -80.45 -39.29 28.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.775 179.931 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -59.99 -49.53 77.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.853 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.673 HD12 HD12 ' A' ' 13' ' ' LEU . 13.4 tp -66.33 -32.84 74.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.706 179.826 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.1 -35.37 76.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.605 179.852 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.78 -40.99 79.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.478 179.613 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.715 ' HA ' HD23 ' A' ' 5' ' ' LEU . 6.0 mt -70.83 -28.89 64.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.564 179.76 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.564 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 70.1 t-105 -90.49 -20.01 23.19 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 179.255 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.03 -63.95 2.42 Favored Glycine 0 C--N 1.336 0.57 0 C-N-CA 121.062 -0.59 . . . . 0.0 112.294 179.388 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.532 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -53.3 -49.48 66.93 Favored 'General case' 0 CA--C 1.51 -0.58 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 179.143 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.541 ' O ' HG23 ' A' ' 66' ' ' VAL . 2.0 t80 -45.27 -50.67 11.66 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 113.428 -1.715 . . . . 0.0 109.322 177.644 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.598 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 0.9 OUTLIER -59.4 -35.71 74.46 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.31 -1.314 . . . . 0.0 110.81 179.546 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.423 ' HB ' ' O ' ' A' ' 61' ' ' THR . 26.2 m -51.95 -36.58 49.85 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.102 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -83.67 -28.85 28.08 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.12 -0.946 . . . . 0.0 109.047 177.774 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.807 HG11 ' CD1' ' A' ' 27' ' ' PHE . 74.1 t . . . . . 0 N--CA 1.452 -0.328 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.101 179.6 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.739 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 1.9 pt? . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.987 0.422 . . . . 0.0 110.725 . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.6 p -77.11 178.51 6.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.417 -179.031 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.6 ttt-85 -56.19 -32.91 64.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.709 179.798 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.61 -37.19 76.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.99 179.915 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.739 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -64.72 -60.26 3.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.895 -179.998 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.456 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -57.51 -37.8 73.6 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.266 0.555 . . . . 0.0 109.767 179.638 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -68.96 -26.7 65.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.753 178.47 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.2 -30.46 25.76 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.174 179.356 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.661 ' O ' HD23 ' A' ' 17' ' ' LEU . 1.5 tp -67.42 -32.6 73.59 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.021 179.302 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.857 HD22 ' O ' ' A' ' 19' ' ' LEU . 16.1 mt -69.58 -40.97 76.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.792 179.73 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -54.31 -47.27 72.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.717 179.924 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.464 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 0.4 OUTLIER -78.39 -15.65 58.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.997 179.697 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.661 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.3 mm? -90.49 -6.57 54.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.727 -179.999 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 mttp 53.37 20.14 1.86 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.34 0.591 . . . . 0.0 110.108 -178.846 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.857 ' O ' HD22 ' A' ' 14' ' ' LEU . 3.6 tt -112.12 110.03 54.11 Favored Pre-proline 0 N--CA 1.449 -0.507 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.16 -179.062 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.42 ' O ' HD13 ' A' ' 23' ' ' LEU . 76.0 Cg_exo -49.57 170.06 0.1 Allowed 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.638 2.226 . . . . 0.0 113.095 -179.03 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.453 ' HG3' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -89.71 -8.93 51.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.08 179.489 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.32 -36.34 74.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.157 0.503 . . . . 0.0 110.752 -179.397 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.744 HD21 ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -100.76 11.82 38.76 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.153 179.839 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.679 ' HE3' HD21 ' A' ' 14' ' ' LEU . 66.5 t-105 -51.73 92.54 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.243 179.364 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 161.15 -27.14 0.28 Allowed Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.812 179.868 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -76.6 87.74 3.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.815 0.34 . . . . 0.0 111.133 -179.747 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.832 ' CD1' HG11 ' A' ' 66' ' ' VAL . 28.0 t80 -44.46 -46.98 9.92 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.699 -179.967 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.31 -34.45 67.83 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.953 -179.595 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.593 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -75.43 -55.41 5.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.664 0.269 . . . . 0.0 111.043 -179.727 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.803 ' HA ' HD13 ' A' ' 19' ' ' LEU . 10.1 ptp -56.21 -46.64 79.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.223 -179.789 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -59.92 -34.48 73.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.898 0.38 . . . . 0.0 110.693 179.838 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -60.52 -41.91 95.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.559 179.638 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.421 ' HB1' ' OE1' ' A' ' 37' ' ' GLN . . . -75.53 -41.68 54.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.848 179.677 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.487 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 10.0 t80 -49.3 -48.67 46.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.551 179.644 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.7 mmtt -69.22 -33.03 72.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.676 179.681 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -66.56 -51.68 53.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.95 -179.984 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 13.2 mp0 -74.88 -20.1 59.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.809 0.338 . . . . 0.0 111.326 -179.72 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.4 -28.05 68.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.525 179.415 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.6 mt -77.98 -30.47 50.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.272 -179.845 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.429 ' HG ' ' HA ' ' A' ' 37' ' ' GLN . 1.5 pp -89.67 -17.07 29.08 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.675 0.274 . . . . 0.0 110.961 179.524 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 73.0 mt -94.92 14.81 20.43 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.875 0.369 . . . . 0.0 110.267 178.681 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.557 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 9.1 t-80 -86.76 137.61 33.66 Favored Pre-proline 0 C--N 1.332 -0.173 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.573 -179.863 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.557 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 29.0 Cg_endo -62.67 -9.66 16.87 Favored 'Trans proline' 0 CA--C 1.531 0.331 0 C-N-CA 122.835 2.357 . . . . 0.0 113.257 -179.466 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -90.16 -27.1 19.81 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.691 0.282 . . . . 0.0 111.187 179.913 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt -95.46 31.08 2.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.088 -179.974 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.84 33.4 83.98 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.438 -179.845 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -103.0 -179.47 26.39 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.529 179.936 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.72 ' HB2' HD12 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -90.2 148.13 23.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.332 . . . . 0.0 111.001 -179.972 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -83.21 -45.27 14.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.899 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.91 -18.72 65.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.703 -179.909 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.72 HD12 ' HB2' ' A' ' 48' ' ' SER . 7.4 mt -76.22 -49.13 17.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.762 0.315 . . . . 0.0 111.088 -179.799 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.67 -49.77 56.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.098 -179.909 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.437 ' HA ' ' OD1' ' A' ' 56' ' ' ASN . 0.9 OUTLIER -64.77 -19.63 65.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.993 179.76 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.599 ' O ' HD12 ' A' ' 58' ' ' LEU . 3.3 tt0 -76.17 -29.95 57.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 110.707 179.906 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.487 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 7.3 tp -80.14 -54.38 5.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.332 -179.647 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.437 ' OD1' ' HA ' ' A' ' 53' ' ' GLN . 9.1 p30 -58.36 -45.22 88.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.679 0.276 . . . . 0.0 111.266 -179.46 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.7 t -61.94 -29.48 70.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.813 0.34 . . . . 0.0 110.741 179.826 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.599 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 7.4 mt -88.28 -26.88 22.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.761 179.602 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.524 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 57.7 t-105 -87.84 -15.49 36.64 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.809 179.507 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.475 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -79.21 -61.1 2.41 Favored Glycine 0 C--N 1.336 0.552 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.572 179.041 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.677 HG23 HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -54.85 -50.35 68.88 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 178.425 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.561 ' N ' ' CG2' ' A' ' 61' ' ' THR . 4.5 t80 -44.24 -52.67 7.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 113.519 -1.673 . . . . 0.0 109.363 177.842 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.573 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 1.1 ttmt -53.3 -39.5 64.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.304 -1.317 . . . . 0.0 111.245 179.489 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 41.4 m -47.87 -37.56 14.27 Favored 'General case' 0 CA--C 1.521 -0.138 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 178.995 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -85.71 -31.17 22.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.73 178.375 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.832 HG11 ' CD1' ' A' ' 27' ' ' PHE . 99.0 t . . . . . 0 N--CA 1.456 -0.161 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.154 179.966 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.847 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER . . . . . 0 CA--C 1.522 -0.097 0 CA-C-O 121.385 0.612 . . . . 0.0 112.229 . . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.1 p -90.12 -175.71 4.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.565 -179.934 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.402 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -55.98 -38.63 70.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.007 179.856 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.96 -32.36 73.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.733 -179.475 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.847 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 27.1 m-20 -85.65 -50.45 7.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.144 -179.725 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.551 ' HE2' ' CZ2' ' A' ' 24' ' ' TRP . 0.6 OUTLIER -57.89 -34.66 70.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.91 0.386 . . . . 0.0 110.164 179.659 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -69.57 -31.47 69.67 Favored 'General case' 0 C--O 1.233 0.184 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.702 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.426 ' HB3' ' O ' ' A' ' 9' ' ' ASP . 20.2 ttt180 -61.82 -34.88 76.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.282 178.627 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.719 ' O ' HD23 ' A' ' 17' ' ' LEU . 3.3 tp -68.21 -31.38 70.85 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.562 178.583 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.807 HD22 ' O ' ' A' ' 19' ' ' LEU . 12.4 mt -73.71 -41.62 62.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.86 179.668 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -53.05 -45.28 67.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.689 -179.942 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.444 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -77.71 -17.45 57.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.868 179.707 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.719 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.5 mm? -89.0 -8.97 53.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.976 -179.548 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 53.96 20.05 2.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.302 0.572 . . . . 0.0 110.168 -178.847 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.809 HD13 ' HA ' ' A' ' 30' ' ' MET . 4.1 tt -108.92 109.07 61.06 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.797 -179.199 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.466 ' O ' HD13 ' A' ' 23' ' ' LEU . 78.1 Cg_exo -48.88 165.08 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.795 2.33 . . . . 0.0 113.438 -178.629 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.506 ' HG3' HD12 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -83.9 -3.11 57.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.911 179.342 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -77.67 -33.68 53.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.032 0.444 . . . . 0.0 111.014 -179.022 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.795 ' O ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -109.67 20.06 18.51 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.874 179.805 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.67 ' HE3' HD21 ' A' ' 14' ' ' LEU . 58.2 t-105 -53.12 -19.21 2.69 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.672 179.522 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.31 -14.06 79.45 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.798 -0.715 . . . . 0.0 113.262 -179.794 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -81.56 119.76 24.19 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.831 0.316 . . . . 0.0 111.214 -179.705 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.687 ' CE1' HG11 ' A' ' 66' ' ' VAL . 23.9 t80 -79.28 -41.68 27.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.206 -179.924 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.78 -29.13 74.45 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.892 -179.598 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.752 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -79.18 -43.78 23.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.618 0.246 . . . . 0.0 111.41 -179.552 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.809 ' HA ' HD13 ' A' ' 19' ' ' LEU . 18.1 ptp -62.54 -45.78 91.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.264 -179.636 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -66.0 -33.65 76.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.7 0.286 . . . . 0.0 110.779 -179.991 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -42.68 99.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.496 179.641 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.489 ' HB3' ' CD1' ' A' ' 17' ' ' LEU . . . -74.65 -38.01 62.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.895 179.835 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.482 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 9.0 t80 -54.31 -45.41 72.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.638 179.805 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.37 -28.63 62.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.966 -179.872 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -66.76 -45.96 76.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.941 -179.922 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 32.2 mm-40 -78.4 -19.16 53.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.221 179.996 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.7 m -65.7 -28.41 69.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.667 179.505 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.62 -32.14 60.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 -179.866 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.661 HD12 ' HG ' ' A' ' 41' ' ' LEU . 3.6 pp -89.95 -19.04 24.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.193 179.958 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.661 ' HG ' HD12 ' A' ' 40' ' ' LEU . 15.4 mt -94.46 15.09 18.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.615 179.327 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.436 ' ND1' ' HD2' ' A' ' 43' ' ' PRO . 77.7 t60 -89.06 135.11 32.03 Favored Pre-proline 0 N--CA 1.455 -0.217 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.726 -179.86 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.436 ' HD2' ' ND1' ' A' ' 42' ' ' HIS . 82.7 Cg_exo -44.85 -27.25 2.35 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.878 2.385 . . . . 0.0 113.072 -179.879 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -83.18 -22.43 33.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.693 0.282 . . . . 0.0 111.585 -179.474 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.61 31.13 5.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.92 -179.737 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.76 35.43 80.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.424 -179.972 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -98.67 152.3 19.7 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.544 -179.994 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.708 ' HB2' HD13 ' A' ' 51' ' ' LEU . 1.6 m -89.31 158.04 17.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.757 0.313 . . . . 0.0 110.689 179.944 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.465 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 1.9 t60 -75.67 -63.91 1.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.721 -179.975 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.48 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -50.15 -35.15 24.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.276 179.965 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.708 HD13 ' HB2' ' A' ' 48' ' ' SER . 0.2 OUTLIER -65.86 -50.24 65.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.221 -179.761 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 10.3 tpt -65.11 -39.08 92.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.302 -179.593 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 8.7 mm100 -73.26 -33.71 65.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.779 0.323 . . . . 0.0 110.971 -179.901 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.48 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 0.5 OUTLIER -62.7 -40.56 97.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.372 . . . . 0.0 110.776 179.953 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.577 HD11 HD21 ' A' ' 17' ' ' LEU . 11.2 tp -65.34 -43.65 90.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.822 -179.865 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.84 -35.28 79.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.653 179.831 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.64 -38.75 70.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.718 179.881 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.524 HD23 ' CD2' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -78.06 -27.34 48.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.618 179.852 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.599 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 59.8 t-105 -88.91 -23.62 22.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.083 179.827 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.4 -63.66 3.16 Favored Glycine 0 C--N 1.334 0.425 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.936 179.193 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.547 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -52.55 -49.88 64.01 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 179.166 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.547 ' N ' ' CG2' ' A' ' 61' ' ' THR . 4.3 t80 -46.34 -54.97 7.99 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 113.265 -1.789 . . . . 0.0 109.4 177.65 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.615 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 0.1 OUTLIER -51.11 -41.24 59.9 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.279 -1.328 . . . . 0.0 111.113 179.854 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.1 m -49.21 -37.09 21.73 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.79 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -85.65 -30.55 23.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.608 178.083 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.687 HG11 ' CE1' ' A' ' 27' ' ' PHE . 72.9 t . . . . . 0 C--N 1.333 -0.147 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.285 -179.993 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.849 HD13 ' HB3' ' A' ' 10' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.107 0.479 . . . . 0.0 111.822 . . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.1 p -90.06 -173.01 3.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.7 ttp-105 -57.83 -32.87 68.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.282 -179.925 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.87 -38.04 58.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.62 -179.502 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.602 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 2.8 m-20 -76.27 -51.79 11.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.291 -179.609 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.849 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -58.39 -32.29 68.48 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.804 0.335 . . . . 0.0 110.29 179.826 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.438 ' HG2' ' HD2' ' A' ' 10' ' ' LYS . 1.6 mm-40 -66.62 -36.21 82.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.139 0.495 . . . . 0.0 109.699 178.809 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -66.15 -37.21 85.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.899 179.24 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.843 HD12 HD12 ' A' ' 55' ' ' LEU . 2.0 tp -60.82 -31.07 70.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.997 179.009 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.799 HD22 ' O ' ' A' ' 19' ' ' LEU . 12.4 mt -70.47 -37.51 74.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.797 179.665 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -55.31 -49.13 72.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.583 179.779 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mp -72.54 -14.44 61.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.008 179.537 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.764 HD23 ' O ' ' A' ' 13' ' ' LEU . 2.5 mm? -90.14 -10.73 43.47 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.996 -179.771 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.14 19.05 2.64 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.331 0.586 . . . . 0.0 110.011 -178.876 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.818 HD21 HD21 ' A' ' 23' ' ' LEU . 3.5 tt -113.08 111.5 50.51 Favored Pre-proline 0 N--CA 1.45 -0.468 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.69 -179.129 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.432 ' O ' HD13 ' A' ' 23' ' ' LEU . 86.1 Cg_exo -44.49 167.28 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.755 2.303 . . . . 0.0 113.553 -178.745 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.409 ' HA ' ' CD1' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -90.12 -12.16 39.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.203 179.745 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.84 -35.17 74.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.006 -179.354 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.818 HD21 HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -97.63 5.71 49.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.36 179.856 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.491 ' HE3' HD21 ' A' ' 14' ' ' LEU . 44.3 t-105 -47.49 93.53 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.356 179.546 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 162.35 -30.01 0.28 Allowed Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.812 179.889 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -72.57 90.64 1.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.787 0.327 . . . . 0.0 111.047 -179.768 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.677 ' CE1' HG11 ' A' ' 66' ' ' VAL . 16.2 t80 -46.11 -40.34 10.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.754 -179.886 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.51 -38.11 95.26 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.817 -0.706 . . . . 0.0 113.168 -179.467 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.4 mmt85 -79.37 -49.42 12.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.724 0.262 . . . . 0.0 111.676 -179.311 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.607 ' HA ' HD13 ' A' ' 19' ' ' LEU . 15.1 ptp -58.1 -44.33 87.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.681 0.277 . . . . 0.0 111.224 -179.564 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -66.66 -34.82 78.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.724 0.297 . . . . 0.0 110.625 179.858 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.44 -44.4 97.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.208 179.529 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.584 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -71.2 -40.67 71.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.698 179.593 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.439 ' HB2' HD11 ' A' ' 17' ' ' LEU . 10.9 t80 -53.06 -55.5 23.34 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.536 179.668 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.474 ' O ' HD12 ' A' ' 39' ' ' LEU . 6.4 mmtt -63.75 -30.92 71.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.894 179.904 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.35 -34.47 63.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 -179.79 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.501 ' O ' HD12 ' A' ' 41' ' ' LEU . 13.4 mm100 -90.07 -21.12 22.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.385 -179.637 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 93.1 p -69.85 -28.8 65.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.837 0.351 . . . . 0.0 110.813 179.697 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -69.96 -38.44 76.09 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.175 -179.782 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.5 pp -84.15 -10.51 57.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.656 0.265 . . . . 0.0 111.055 179.616 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.52 HD22 ' HB3' ' A' ' 51' ' ' LEU . 9.7 mt -94.31 -8.29 39.41 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.833 0.349 . . . . 0.0 111.307 179.741 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.508 ' ND1' ' HD2' ' A' ' 43' ' ' PRO . 24.8 t60 -66.78 141.57 96.93 Favored Pre-proline 0 CA--C 1.532 0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.249 179.424 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.508 ' HD2' ' ND1' ' A' ' 42' ' ' HIS . 32.9 Cg_endo -65.45 -12.25 34.12 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.65 2.234 . . . . 0.0 113.614 -178.789 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.04 -20.77 23.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.691 0.281 . . . . 0.0 111.179 -179.987 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.473 ' HD3' ' HB3' ' A' ' 42' ' ' HIS . 4.2 mptt -100.93 24.32 9.45 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.726 0.298 . . . . 0.0 110.974 179.881 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 88.5 -17.54 48.12 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.671 -0.776 . . . . 0.0 113.046 179.765 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 43' ' ' PRO . . . -63.72 161.1 36.42 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.532 -179.727 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.403 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -90.35 154.41 19.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.739 0.304 . . . . 0.0 110.913 179.872 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -77.52 -46.94 20.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.796 179.848 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.06 -27.78 34.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.273 179.985 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.52 ' HB3' HD22 ' A' ' 41' ' ' LEU . 3.0 mp -78.85 -52.02 8.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.821 179.91 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 8.8 tpt -58.28 -28.15 64.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.009 179.83 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -71.72 -35.85 70.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.74 179.849 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -64.31 -53.75 43.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.843 HD12 HD12 ' A' ' 13' ' ' LEU . 11.4 tp -52.99 -51.1 62.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.213 -179.956 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -60.15 -33.56 72.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.91 -41.61 42.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.731 179.929 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.587 ' HA ' HD23 ' A' ' 5' ' ' LEU . 3.3 mt -75.82 -26.64 57.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.822 179.942 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.537 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 65.0 t-105 -89.9 -24.66 21.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.129 179.874 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.46 ' HA2' ' NZ ' ' A' ' 63' ' ' LYS . . . -69.16 -64.43 3.0 Favored Glycine 0 C--N 1.335 0.474 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.274 179.522 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.606 ' CG2' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -52.86 -49.59 65.5 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 179.138 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.539 ' N ' ' CG2' ' A' ' 61' ' ' THR . 3.6 t80 -45.33 -51.28 11.3 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 113.46 -1.7 . . . . 0.0 109.401 177.647 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.566 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 0.2 OUTLIER -55.71 -36.92 67.72 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.184 -1.371 . . . . 0.0 111.16 179.704 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 40.1 m -47.76 -38.03 14.64 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 109.165 -0.679 . . . . 0.0 109.165 179.214 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -85.61 -30.74 23.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.926 178.252 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.677 HG11 ' CE1' ' A' ' 27' ' ' PHE . 82.2 t . . . . . 0 N--CA 1.456 -0.136 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.221 -179.927 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.832 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.3 OUTLIER . . . . . 0 N--CA 1.461 0.098 0 CA-C-O 121.376 0.608 . . . . 0.0 112.149 . . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.4 p -90.43 -177.16 5.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.025 -179.166 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 31.4 ttm105 -57.86 -32.75 67.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.508 179.605 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.413 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . . . -70.66 -33.28 70.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.76 -179.672 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.832 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 19.1 m-20 -85.46 -48.67 8.76 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 121.168 -0.213 . . . . 0.0 111.255 -179.517 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.483 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -60.87 -34.0 73.95 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.49 179.835 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.413 ' HG2' ' HA ' ' A' ' 8' ' ' ALA . 0.2 OUTLIER -68.99 -29.37 67.57 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.074 0.464 . . . . 0.0 109.844 178.939 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -67.98 -33.02 73.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.872 178.96 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.746 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.8 tp -66.68 -35.38 80.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.088 179.2 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.813 HD22 ' O ' ' A' ' 19' ' ' LEU . 14.6 mt -69.58 -37.02 76.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.692 179.774 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.88 -44.11 81.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.519 179.738 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.429 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 10.0 mp -80.46 -16.27 54.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.906 179.481 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.803 ' CD2' HD11 ' A' ' 55' ' ' LEU . 2.6 mm? -89.98 -8.64 51.19 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.284 -0.416 . . . . 0.0 112.063 -179.823 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.47 19.89 2.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.301 0.572 . . . . 0.0 109.963 -178.64 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.83 HD13 ' HA ' ' A' ' 30' ' ' MET . 3.6 tt -111.96 108.96 55.2 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.111 -0.95 . . . . 0.0 109.734 -179.416 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.425 ' O ' HD13 ' A' ' 23' ' ' LEU . 73.9 Cg_exo -49.32 169.92 0.1 OUTLIER 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.608 2.206 . . . . 0.0 113.245 -178.794 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.05 -6.56 55.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.009 179.333 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.95 -35.62 66.99 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.125 0.488 . . . . 0.0 110.695 -179.658 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.731 HD21 ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -101.75 10.53 39.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.057 179.7 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.59 ' HE3' HD21 ' A' ' 14' ' ' LEU . 48.8 t-105 -53.18 114.19 1.38 Allowed 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.388 179.743 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 140.58 -24.78 2.62 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.652 -0.785 . . . . 0.0 113.069 179.611 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -76.21 92.28 3.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.828 0.347 . . . . 0.0 111.316 -179.749 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.724 ' CE1' HG11 ' A' ' 66' ' ' VAL . 22.3 t80 -49.18 -32.44 10.31 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.7 179.982 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.94 -38.13 60.27 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.662 -0.78 . . . . 0.0 113.032 -179.578 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.481 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -82.25 -41.14 20.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.715 0.257 . . . . 0.0 111.629 -179.36 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.83 ' HA ' HD13 ' A' ' 19' ' ' LEU . 8.9 ptp -63.46 -46.76 84.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.678 0.275 . . . . 0.0 110.982 -179.753 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.439 ' HG2' ' HE3' ' A' ' 35' ' ' LYS . 38.1 tt0 -65.9 -36.32 83.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.813 0.34 . . . . 0.0 110.586 179.749 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -59.22 -34.93 72.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.072 0.463 . . . . 0.0 110.282 179.451 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.705 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -76.54 -38.71 54.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.505 179.477 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.482 ' HE2' ' HB3' ' A' ' 59' ' ' TRP . 10.8 t80 -56.74 -44.67 81.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.756 179.944 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.439 ' HE3' ' HG2' ' A' ' 31' ' ' GLN . 5.5 mtmt -73.64 -29.74 62.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.771 179.715 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -71.97 -35.11 69.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 32.3 mm-40 -89.26 -19.56 25.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.203 -179.892 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -76.09 -30.97 58.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.598 179.586 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.406 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 0.2 OUTLIER -69.01 -30.92 69.41 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.473 -179.613 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.2 pp -89.85 -17.59 27.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.707 0.289 . . . . 0.0 111.149 -179.954 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 41' ' ' LEU . 20.6 mt -95.17 -2.62 49.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.161 179.553 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.442 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 12.1 t60 -75.26 141.86 74.48 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 120.711 0.291 . . . . 0.0 110.949 -179.972 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.442 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 70.9 Cg_exo -47.21 -26.9 5.93 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 122.814 2.343 . . . . 0.0 112.668 179.951 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -79.0 -21.29 47.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.396 -179.803 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 39' ' ' LEU . 1.4 mppt? -113.23 30.66 7.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.898 -179.639 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.89 74.87 0.3 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.663 179.996 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -137.78 158.61 24.69 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.464 -179.992 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.737 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.8 OUTLIER -90.06 148.89 22.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.859 0.361 . . . . 0.0 110.978 -179.98 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -69.39 -49.27 56.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.767 179.868 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.13 -24.82 56.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.305 -179.991 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.737 HD13 ' HB2' ' A' ' 48' ' ' SER . 4.4 mp -76.14 -50.11 15.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.957 -179.895 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.479 ' HE2' ' HA ' ' A' ' 52' ' ' MET . 0.0 OUTLIER -67.12 -27.23 67.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.024 -179.953 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -73.25 -36.16 66.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.932 0.396 . . . . 0.0 110.712 179.779 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -55.51 23.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.057 -179.904 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.803 HD11 ' CD2' ' A' ' 17' ' ' LEU . 9.5 tp -55.57 -40.82 72.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.221 -179.702 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -63.1 -30.76 71.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.76 -41.96 25.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.274 -179.82 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.612 ' HB3' ' HB2' ' A' ' 13' ' ' LEU . 74.8 mt -75.31 -31.33 60.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.905 -179.744 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.613 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 62.1 t-105 -88.94 -21.64 23.47 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.45 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.28 -60.74 3.96 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.054 179.573 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.545 HG21 ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -56.79 -49.97 73.75 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 179.25 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.535 ' N ' ' CG2' ' A' ' 61' ' ' THR . 3.6 t80 -43.82 -50.1 7.96 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 113.434 -1.712 . . . . 0.0 109.486 177.758 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.613 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 0.7 OUTLIER -58.16 -39.12 78.02 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.158 -1.383 . . . . 0.0 111.284 179.571 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.418 ' HB ' ' O ' ' A' ' 61' ' ' THR . 76.7 m -47.39 -37.52 11.46 Favored 'General case' 0 CA--C 1.522 -0.117 0 CA-C-O 121.338 0.589 . . . . 0.0 109.411 179.338 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -85.35 -32.12 22.61 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.636 178.287 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.724 HG11 ' CE1' ' A' ' 27' ' ' PHE . 78.9 t . . . . . 0 C--O 1.231 0.115 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.011 179.951 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.795 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.253 0.549 . . . . 0.0 111.9 . . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.9 p -90.17 -171.05 2.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.744 -179.471 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.408 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 20.8 mtm-85 -57.88 -43.77 86.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.829 179.769 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.11 -49.7 76.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.548 -179.587 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.795 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 9.9 m-20 -63.82 -51.44 64.69 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.198 -0.201 . . . . 0.0 110.804 -179.906 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.436 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -60.44 -33.95 73.27 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 179.214 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 7' ' ' ARG . 9.5 mt-10 -69.01 -31.97 71.17 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.441 -0.578 . . . . 0.0 109.441 178.387 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 44.9 ttt85 -67.98 -37.28 81.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.121 179.312 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.764 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.0 tp -64.4 -30.27 71.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.209 179.224 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.756 HD22 ' O ' ' A' ' 19' ' ' LEU . 11.1 mt -70.16 -39.25 75.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.96 179.725 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -56.32 -50.6 70.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 179.905 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.426 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -72.21 -12.94 61.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.159 179.82 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.764 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.4 mm? -90.33 -10.05 45.52 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -179.524 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.402 ' HD3' ' OE1' ' A' ' 37' ' ' GLN . 1.3 mptt 54.39 19.8 2.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.385 0.612 . . . . 0.0 109.99 -178.539 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.876 HD21 HD21 ' A' ' 23' ' ' LEU . 2.7 tt -112.07 111.41 53.32 Favored Pre-proline 0 N--CA 1.448 -0.569 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.712 -179.109 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.441 ' HB2' HD12 ' A' ' 23' ' ' LEU . 87.1 Cg_exo -42.54 165.9 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.814 2.343 . . . . 0.0 113.376 -178.76 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.412 ' HA ' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -90.2 -8.95 49.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.201 179.822 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.46 -33.87 65.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.371 -179.074 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.876 HD21 HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -97.36 9.75 41.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.541 -179.876 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.468 ' HE3' HD21 ' A' ' 14' ' ' LEU . 52.9 t-105 -52.72 109.49 0.41 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.224 179.567 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 141.8 -26.16 2.38 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.722 179.797 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -78.51 91.64 4.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.771 0.32 . . . . 0.0 111.1 -179.673 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.596 ' CE1' HG11 ' A' ' 66' ' ' VAL . 21.5 t80 -46.83 -29.64 2.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.574 -179.889 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -71.46 -37.56 62.43 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.719 -179.803 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 -79.34 -48.08 14.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.723 0.296 . . . . 0.0 111.555 -179.61 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.775 ' HA ' HD13 ' A' ' 19' ' ' LEU . 11.6 ptp -59.67 -49.74 76.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.136 -179.707 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -60.74 -36.74 79.65 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.774 0.321 . . . . 0.0 110.355 179.727 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.441 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.5 OUTLIER -59.35 -45.77 90.45 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.982 0.42 . . . . 0.0 110.08 179.151 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.705 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -68.11 -47.05 69.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.276 179.245 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.525 ' CE2' ' CD1' ' A' ' 59' ' ' TRP . 10.0 t80 -47.43 -48.89 26.31 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.644 179.759 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.34 -29.22 64.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.641 179.666 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -31.85 69.3 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.743 179.901 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.499 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 13.1 mm100 -85.14 -20.72 29.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.205 179.943 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.416 ' O ' ' HB2' ' A' ' 42' ' ' HIS . 5.0 m -63.81 -29.41 70.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.748 0.308 . . . . 0.0 110.773 179.905 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 mt -61.85 -31.81 72.09 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.624 -179.559 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.503 ' HG ' ' HG ' ' A' ' 41' ' ' LEU . 1.6 pp -87.23 -26.65 23.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.721 0.296 . . . . 0.0 110.68 -179.975 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.503 ' HG ' ' HG ' ' A' ' 40' ' ' LEU . 5.2 mt -95.51 1.82 54.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.075 179.351 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' A' ' 38' ' ' SER . 6.8 t60 -73.48 133.62 80.18 Favored Pre-proline 0 C--N 1.332 -0.195 0 CA-C-O 120.674 0.273 . . . . 0.0 110.774 -179.859 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -46.22 -24.92 2.73 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.942 2.428 . . . . 0.0 112.881 -179.83 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -71.83 -26.54 62.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.039 -179.842 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 45.9 mmtt -117.4 28.86 8.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.943 0.401 . . . . 0.0 110.489 179.641 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 101.2 -91.5 0.95 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.126 -179.741 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.65 133.79 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.915 179.659 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.24 146.17 24.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.78 0.324 . . . . 0.0 110.647 179.736 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -66.16 -24.59 66.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.156 -179.893 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.68 -49.15 7.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.318 -179.914 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.407 ' HB3' HD22 ' A' ' 41' ' ' LEU . 0.4 OUTLIER -55.17 -50.53 69.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.565 -179.621 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.3 tpt -55.05 -44.34 74.61 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.397 -179.542 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -75.8 -30.98 59.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.959 -179.874 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.16 -51.23 64.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.473 HD11 HD21 ' A' ' 17' ' ' LEU . 9.3 tp -62.51 -41.56 98.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.829 -179.908 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -63.62 -25.28 68.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.046 179.975 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.8 t -79.01 -49.16 13.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.355 -179.731 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.479 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 9.0 mt -69.53 -26.23 64.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.107 -179.736 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.595 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 60.2 t-105 -90.44 -23.43 21.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.352 . . . . 0.0 110.142 179.619 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.07 -64.31 2.71 Favored Glycine 0 C--N 1.335 0.486 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.169 179.635 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.536 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -52.11 -49.51 63.48 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 178.919 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.536 ' N ' ' CG2' ' A' ' 61' ' ' THR . 3.2 t80 -45.45 -51.11 11.97 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 113.431 -1.713 . . . . 0.0 109.354 177.462 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.595 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -54.38 -40.93 68.65 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 114.056 -1.429 . . . . 0.0 111.303 179.743 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 54.1 m -45.81 -39.59 8.6 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.194 0.521 . . . . 0.0 109.736 179.362 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -85.43 -31.82 22.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.727 178.632 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.596 HG11 ' CE1' ' A' ' 27' ' ' PHE . 47.5 t . . . . . 0 N--CA 1.457 -0.116 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.146 -179.78 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.78 HD13 ' HB3' ' A' ' 10' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 121.006 0.431 . . . . 0.0 111.6 . . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.7 p -87.38 -172.47 3.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.218 179.697 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.599 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 2.0 ttt-85 -58.07 -34.25 69.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.434 -179.645 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.36 -51.02 26.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.718 0.294 . . . . 0.0 111.584 -179.718 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.717 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 13.2 m-20 -61.06 -50.14 74.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.044 -179.668 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.78 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.4 OUTLIER -60.21 -31.94 70.63 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.397 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.596 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 1.4 tt0 -65.68 -35.65 81.36 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 178.396 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.4 tpp180 -69.72 -28.13 65.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.246 179.349 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.58 ' O ' HD23 ' A' ' 17' ' ' LEU . 1.8 tp -67.44 -32.61 73.58 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.076 179.316 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.673 HD21 ' HE3' ' A' ' 24' ' ' TRP . 20.1 mt -75.29 -37.8 60.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.85 -46.36 74.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.963 179.896 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.506 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 11.1 mp -79.54 -13.22 59.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.909 -179.934 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.796 ' O ' ' HB1' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -90.18 -9.03 49.68 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.674 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.63 19.01 3.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.405 0.621 . . . . 0.0 110.072 -178.51 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.853 HD13 ' HA ' ' A' ' 30' ' ' MET . 4.2 tt -112.89 110.09 52.09 Favored Pre-proline 0 N--CA 1.449 -0.483 0 CA-C-N 115.175 -0.921 . . . . 0.0 109.795 -179.363 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.428 ' O ' HD13 ' A' ' 23' ' ' LEU . 88.3 Cg_exo -46.55 169.39 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.994 2.463 . . . . 0.0 113.713 -178.556 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.57 -10.7 42.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.112 179.519 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -36.37 74.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.747 -179.5 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.79 HD21 HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -98.27 10.72 40.0 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.305 -179.894 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.673 ' HE3' HD21 ' A' ' 14' ' ' LEU . 60.6 t-105 -54.87 92.37 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.024 179.35 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 163.86 -27.98 0.22 Allowed Glycine 0 CA--C 1.518 0.252 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.805 179.991 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.42 ' O ' ' HG2' ' A' ' 30' ' ' MET . 12.8 t0 -78.66 101.64 7.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.635 0.255 . . . . 0.0 111.003 -179.841 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.748 ' CE1' HG11 ' A' ' 66' ' ' VAL . 25.5 t80 -54.24 -32.69 56.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.798 -179.599 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.69 -32.77 63.91 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 120.56 -0.829 . . . . 0.0 113.246 -179.212 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.576 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -82.89 -37.12 24.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.702 0.251 . . . . 0.0 111.653 -179.333 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.853 ' HA ' HD13 ' A' ' 19' ' ' LEU . 19.0 ptp -67.89 -44.81 76.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.626 0.25 . . . . 0.0 110.964 -179.773 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -64.31 -41.74 96.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.923 0.392 . . . . 0.0 110.178 179.525 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -56.04 -33.91 65.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.279 179.338 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.796 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -79.54 -45.05 20.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.379 179.439 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.52 ' N ' HD13 ' A' ' 17' ' ' LEU . 10.8 t80 -55.02 -44.69 74.82 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.639 179.558 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.2 mttm -67.58 -37.98 83.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.087 -179.842 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -60.24 -38.28 82.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.023 -179.654 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 31.1 mm-40 -88.71 -21.8 23.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.261 -179.875 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.1 p -66.03 -33.55 76.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.793 0.33 . . . . 0.0 110.559 179.563 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.1 mt -68.59 -42.35 78.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.817 179.9 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.448 HD21 ' HA ' ' A' ' 37' ' ' GLN . 1.2 pp -81.64 -8.5 59.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.26 179.697 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.67 HD22 ' HB3' ' A' ' 51' ' ' LEU . 22.6 mt -95.24 -0.59 52.89 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 120.609 0.242 . . . . 0.0 111.389 179.723 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.414 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 4.5 t-160 -86.22 123.27 71.82 Favored Pre-proline 0 CA--C 1.532 0.275 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.768 -179.708 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.414 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 88.7 Cg_exo -42.36 -21.49 0.18 Allowed 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.833 2.355 . . . . 0.0 113.696 -179.928 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.51 -28.24 41.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.828 0.347 . . . . 0.0 111.065 -179.879 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.5 mmtt -103.97 30.22 5.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.807 179.83 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.2 56.24 7.13 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.601 179.928 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 43' ' ' PRO . . . -136.12 162.63 25.06 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.442 179.983 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.856 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -90.41 159.93 16.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.859 0.362 . . . . 0.0 110.815 179.943 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -81.98 -47.6 12.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.644 179.706 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.434 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -58.77 -24.37 61.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.196 179.944 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.856 HD13 ' HB2' ' A' ' 48' ' ' SER . 0.9 OUTLIER -75.4 -50.83 14.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.333 -179.562 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -43.05 97.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.261 -179.569 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.413 ' CG ' ' HA ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -69.01 -30.29 68.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.123 -179.859 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 4.6 tt0 -61.52 -55.88 26.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.614 179.803 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' A' ' 55' ' ' LEU . 9.5 tp -56.38 -36.95 69.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.107 179.988 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -61.39 -29.36 69.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.667 179.873 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.2 t -73.54 -37.72 65.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.958 179.973 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.594 ' HA ' HD23 ' A' ' 5' ' ' LEU . 15.1 mt -83.83 -30.61 26.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.009 -179.974 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.656 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 69.1 t-105 -90.0 -17.87 27.05 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.096 -179.931 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.01 -61.82 2.95 Favored Glycine 0 C--N 1.336 0.54 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.923 179.335 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.556 ' CG2' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -56.56 -50.18 72.66 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 179.005 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.542 ' N ' ' CG2' ' A' ' 61' ' ' THR . 4.7 t80 -44.28 -53.06 7.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 113.545 -1.661 . . . . 0.0 109.221 177.9 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.656 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 2.3 ttmt -54.4 -43.52 71.52 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.383 -1.28 . . . . 0.0 111.091 179.182 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 36.4 m -48.67 -36.88 17.02 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 179.141 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -85.38 -30.86 23.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.668 178.275 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.748 HG11 ' CE1' ' A' ' 27' ' ' PHE . 54.5 t . . . . . 0 C--O 1.231 0.121 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 tpt . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.786 0.327 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -78.28 104.34 8.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -104.29 94.03 5.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.948 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 31.5 m -137.3 124.26 29.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.215 0.531 . . . . 0.0 111.526 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.789 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.3 OUTLIER -89.49 145.92 24.97 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.251 179.528 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 p -90.19 -172.88 3.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.495 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.9 mtt-85 -58.79 -40.88 85.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 110.661 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.14 -39.22 94.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.709 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.789 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 48.1 m-20 -75.83 -52.94 9.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.748 -0.206 . . . . 0.0 111.221 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.511 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -60.4 -34.51 74.04 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.009 0.433 . . . . 0.0 110.42 179.728 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.467 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 7.4 tp10 -67.72 -34.19 76.36 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.991 179.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.2 tpt180 -65.33 -32.81 74.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.911 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.741 ' O ' HD13 ' A' ' 17' ' ' LEU . 3.1 tp -65.71 -33.86 76.84 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.917 179.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.738 HD22 ' O ' ' A' ' 19' ' ' LEU . 11.4 mt -69.98 -41.37 74.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.318 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.29 -41.35 79.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.087 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.2 mt -79.05 -18.41 53.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.295 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.741 HD13 ' O ' ' A' ' 13' ' ' LEU . 6.9 mp -88.5 -4.33 58.63 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 54.25 19.26 2.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.31 0.576 . . . . 0.0 110.077 -178.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.773 HD13 ' HA ' ' A' ' 30' ' ' MET . 3.5 tt -109.86 110.35 59.12 Favored Pre-proline 0 N--CA 1.45 -0.44 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.939 -179.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.436 ' O ' HD13 ' A' ' 23' ' ' LEU . 81.7 Cg_exo -46.83 167.21 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.694 2.262 . . . . 0.0 113.29 -178.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.43 -3.8 57.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.246 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -79.13 -31.4 44.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.993 0.425 . . . . 0.0 111.121 -179.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.686 HD21 ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -101.43 10.05 40.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.265 179.786 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.565 ' HE3' HD21 ' A' ' 14' ' ' LEU . 36.2 t-105 -55.69 108.31 0.43 Allowed 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.188 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 148.85 -29.71 1.26 Allowed Glycine 0 C--N 1.333 0.362 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.744 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.431 ' O ' ' HG2' ' A' ' 30' ' ' MET . 19.5 t0 -78.74 92.67 4.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.71 0.29 . . . . 0.0 111.179 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.644 ' CE1' HG11 ' A' ' 66' ' ' VAL . 7.7 t80 -43.94 -43.31 6.45 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.686 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.462 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -57.86 -42.54 94.7 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.858 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -71.5 -52.87 16.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.647 0.26 . . . . 0.0 111.672 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.773 ' HA ' HD13 ' A' ' 19' ' ' LEU . 13.9 ptp -56.69 -47.23 80.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.505 -179.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.431 ' NE2' ' CZ ' ' A' ' 27' ' ' PHE . 18.1 tt0 -63.0 -35.92 81.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.895 0.379 . . . . 0.0 110.244 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.462 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.8 OUTLIER -63.91 -37.13 86.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.811 179.03 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.628 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -79.43 -29.31 41.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.053 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.433 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 9.8 t80 -69.04 -41.07 78.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.686 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.14 -52.63 46.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.971 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.495 ' HG2' ' HA ' ' A' ' 33' ' ' ALA . 1.3 pt20 -59.59 -29.76 68.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.723 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.517 ' HG3' ' HA ' ' A' ' 17' ' ' LEU . 95.8 mm-40 -86.62 -23.66 25.62 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.956 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.7 m -77.49 -30.78 53.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.669 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.504 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 5.7 mt -77.77 -24.82 48.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.468 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.567 HD12 ' HG ' ' A' ' 41' ' ' LEU . 4.3 pp -89.98 -18.94 25.09 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.949 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.567 ' HG ' HD12 ' A' ' 40' ' ' LEU . 11.6 mt -94.77 -3.56 48.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.819 0.343 . . . . 0.0 110.782 179.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -66.62 134.65 94.35 Favored Pre-proline 0 N--CA 1.455 -0.184 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.858 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_exo -43.89 -48.81 8.81 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.928 2.419 . . . . 0.0 113.364 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.42 -12.79 55.73 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.749 0.278 . . . . 0.0 111.749 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.504 ' HG3' ' O ' ' A' ' 39' ' ' LEU . 5.8 mmtp -112.5 30.93 6.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.37 . . . . 0.0 111.064 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 62.39 90.29 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.61 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -169.74 165.24 38.64 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.425 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.586 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -88.95 154.07 20.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.897 0.38 . . . . 0.0 110.688 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -82.69 -40.51 20.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.42 ' HA ' ' HG2' ' A' ' 53' ' ' GLN . . . -58.71 -21.1 54.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.39 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.586 HD13 ' HB2' ' A' ' 48' ' ' SER . 2.7 mp -83.95 -51.59 7.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.165 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -31.25 69.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.508 -179.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.42 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 1.4 pt20 -77.15 -32.71 56.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.867 0.365 . . . . 0.0 111.142 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.523 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -72.53 -36.8 68.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.938 0.399 . . . . 0.0 110.348 179.585 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.635 HD11 HD11 ' A' ' 17' ' ' LEU . 6.1 tp -71.08 -43.25 68.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.533 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -60.84 -31.13 70.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.705 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.5 p -81.55 -45.22 16.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.798 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.523 HD12 ' O ' ' A' ' 54' ' ' GLU . 2.8 mt -65.13 -27.74 68.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.567 ' HB2' HD11 ' A' ' 13' ' ' LEU . 61.9 t-105 -90.63 -27.12 19.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.183 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.403 ' HA2' ' NZ ' ' A' ' 63' ' ' LYS . . . -68.9 -63.89 3.28 Favored Glycine 0 C--N 1.333 0.401 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.148 179.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.535 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -51.9 -49.49 62.92 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 179.084 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.535 ' N ' ' CG2' ' A' ' 61' ' ' THR . 3.1 t80 -44.03 -52.16 7.28 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 113.418 -1.719 . . . . 0.0 109.138 177.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.582 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 0.3 OUTLIER -58.68 -37.76 76.75 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.003 -1.453 . . . . 0.0 110.841 179.397 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.481 ' HB ' ' O ' ' A' ' 61' ' ' THR . 54.7 m -49.06 -37.81 22.17 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 109.487 -0.561 . . . . 0.0 109.487 179.083 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -85.12 -30.92 23.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.504 178.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.734 ' HA ' HD23 ' A' ' 69' ' ' LEU . 74.1 t -53.97 -46.69 65.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.717 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.3 -27.32 62.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.977 0.418 . . . . 0.0 110.174 179.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -91.0 -27.13 18.85 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.388 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.734 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.4 OUTLIER -62.69 -21.56 65.83 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 120.841 0.353 . . . . 0.0 110.572 -179.517 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -74.73 1.07 13.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.869 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.1 mtt -108.13 -30.11 8.58 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.665 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -83.03 115.6 21.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.954 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.1 mp -136.05 27.43 3.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -146.08 -103.08 0.35 Allowed Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 175.1 -58.61 0.12 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.51 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.4 p -62.94 148.77 46.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.877 0.37 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 169.14 59.59 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.423 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -88.62 110.73 21.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.838 0.351 . . . . 0.0 110.932 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.629 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 mmt . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.859 0.361 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -129.71 -64.91 0.86 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.599 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -146.92 97.46 2.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.836 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.8 m -139.14 120.07 15.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.302 0.573 . . . . 0.0 111.296 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.835 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.3 OUTLIER -68.59 146.83 52.72 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.558 179.551 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.6 p -90.33 -170.32 2.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.933 -178.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.454 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -62.49 -29.43 70.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.899 179.645 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.417 ' N ' ' HG2' ' A' ' 7' ' ' ARG . . . -76.54 -32.64 58.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.282 -179.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.835 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 2.9 m-20 -89.77 -47.0 8.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.816 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.684 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -59.91 -28.46 67.6 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.839 0.352 . . . . 0.0 110.756 179.717 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 12' ' ' ARG . 3.2 pt-20 -69.76 -31.4 69.34 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.447 ' N ' ' HG3' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -60.75 -39.42 88.63 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.528 178.887 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.796 ' O ' HD23 ' A' ' 17' ' ' LEU . 4.9 tp -65.12 -35.56 81.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.009 179.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.929 HD22 ' O ' ' A' ' 19' ' ' LEU . 10.6 mt -66.87 -40.78 87.95 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.982 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -56.03 -52.67 63.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.5 mt -72.36 -12.45 61.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.994 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.796 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.4 mm? -90.45 -10.45 43.68 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 mptt 52.8 20.32 1.56 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.201 0.524 . . . . 0.0 110.263 -178.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.929 ' O ' HD22 ' A' ' 14' ' ' LEU . 4.9 tt -109.93 112.14 58.13 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.999 -179.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.431 ' HB2' HD12 ' A' ' 23' ' ' LEU . 82.8 Cg_exo -46.06 167.03 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.701 2.267 . . . . 0.0 113.396 -178.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.422 ' HG2' HD13 ' A' ' 14' ' ' LEU . 7.2 mtt180 -90.25 -2.51 58.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.313 179.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.72 -24.55 31.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.733 -178.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.819 ' CD2' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -108.79 10.47 26.65 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.823 179.308 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.546 ' HE3' HD21 ' A' ' 14' ' ' LEU . 44.1 t-105 -56.05 97.58 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.847 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 160.08 -28.88 0.35 Allowed Glycine 0 CA--C 1.517 0.21 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.212 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.42 ' HB3' ' HB2' ' A' ' 29' ' ' ARG . 22.3 t0 -76.53 93.58 3.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.887 0.375 . . . . 0.0 110.91 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.541 ' CE1' HG11 ' A' ' 66' ' ' VAL . 16.5 t80 -46.59 -40.5 12.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.866 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.71 -33.7 87.94 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.826 -0.702 . . . . 0.0 113.476 -179.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.618 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -81.65 -43.74 18.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.82 0.31 . . . . 0.0 111.44 -179.385 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.695 ' HA ' HD13 ' A' ' 19' ' ' LEU . 12.9 ptp -61.39 -47.92 83.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.207 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -66.29 -35.25 79.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.738 0.304 . . . . 0.0 110.58 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.65 -44.04 89.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.04 0.448 . . . . 0.0 110.244 179.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.574 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -70.22 -40.38 74.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.891 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.449 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 6.7 t80 -53.24 -48.43 68.22 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.684 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.421 ' HA ' ' OG ' ' A' ' 38' ' ' SER . 4.5 mttp -67.32 -31.61 72.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.081 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -70.28 -38.13 74.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.023 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.746 ' OE1' HD11 ' A' ' 40' ' ' LEU . 1.4 mm-40 -90.2 -23.49 21.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.442 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.421 ' OG ' ' HA ' ' A' ' 35' ' ' LYS . 84.3 p -72.68 -30.88 64.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.845 0.355 . . . . 0.0 110.515 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.412 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 1.0 OUTLIER -73.24 -30.71 63.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.349 -179.643 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.746 HD11 ' OE1' ' A' ' 37' ' ' GLN . 4.6 pp -83.82 -21.16 32.18 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.707 0.289 . . . . 0.0 110.965 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.738 HD22 ' HB3' ' A' ' 51' ' ' LEU . 2.3 mt -95.37 16.57 16.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.802 0.334 . . . . 0.0 110.791 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -85.83 134.65 39.02 Favored Pre-proline 0 N--CA 1.453 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.457 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -43.52 -37.56 7.98 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.708 2.272 . . . . 0.0 112.8 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -64.7 -16.38 62.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.688 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' A' ' 39' ' ' LEU . 35.2 mmtt -111.81 31.04 6.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.787 0.327 . . . . 0.0 111.074 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.65 66.87 2.5 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.595 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -137.66 171.0 23.45 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.367 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.73 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -90.02 151.6 21.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.826 0.346 . . . . 0.0 110.837 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -79.57 -45.17 19.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.425 ' HA ' ' CG ' ' A' ' 53' ' ' GLN . . . -58.68 -24.26 60.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.406 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.738 ' HB3' HD22 ' A' ' 41' ' ' LEU . 4.1 mp -74.08 -59.8 2.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.193 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 10.4 tpt -55.17 -44.12 74.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.365 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.425 ' CG ' ' HA ' ' A' ' 50' ' ' ALA . 1.3 pp0? -67.01 -29.89 69.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.045 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.7 -39.25 93.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.842 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.593 HD12 HD12 ' A' ' 13' ' ' LEU . 16.5 tp -69.18 -34.7 75.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.727 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -65.34 -30.23 71.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.076 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.25 -30.83 66.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.64 HD22 ' O ' ' A' ' 9' ' ' ASP . 2.3 mt -89.57 -29.32 18.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.05 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.593 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 66.0 t-105 -88.91 -21.41 23.63 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.23 -60.23 3.63 Favored Glycine 0 C--N 1.334 0.428 0 C-N-CA 121.019 -0.61 . . . . 0.0 111.989 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.609 ' CG2' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -55.05 -49.2 72.18 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 106.829 -1.545 . . . . 0.0 106.829 179.239 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.66 ' O ' ' HG3' ' A' ' 65' ' ' GLU . 5.5 t80 -46.85 -55.25 8.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 113.159 -1.837 . . . . 0.0 109.647 177.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.594 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 1.0 OUTLIER -49.22 -37.95 24.73 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.374 179.682 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.435 ' HB ' ' O ' ' A' ' 61' ' ' THR . 85.4 m -54.46 -43.02 71.31 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 178.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.66 ' HG3' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -84.75 -20.63 30.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.31 178.627 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 1.04 ' HA ' HD23 ' A' ' 69' ' ' LEU . 23.2 t -57.13 -40.77 75.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 CA-C-O 121.014 0.435 . . . . 0.0 110.825 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.45 -38.36 84.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.077 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.516 ' ND2' ' HA ' ' A' ' 65' ' ' GLU . 26.0 p30 -87.01 -11.47 50.31 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.804 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 1.04 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -66.38 -40.1 89.51 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.843 0.354 . . . . 0.0 110.76 -179.853 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.4 mtm105 -78.06 1.28 21.55 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.767 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 9.4 mtt -117.73 15.07 14.47 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.178 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -101.41 -73.24 0.66 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.899 0.381 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.5 mt -84.38 87.38 7.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.7 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -136.41 -168.7 11.53 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.355 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 149.63 44.64 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.554 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 68.3 p -74.34 130.96 40.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.786 0.327 . . . . 0.0 110.745 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.44 -54.93 0.95 Allowed Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.327 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -90.24 121.93 32.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.822 0.344 . . . . 0.0 110.764 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.865 179.933 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 mtt . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 120.739 0.304 . . . . 0.0 111.57 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.93 115.26 3.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.026 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -141.72 73.22 1.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.731 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 29.8 m -134.02 125.42 48.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.243 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.799 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER -87.68 145.41 26.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.338 0.589 . . . . 0.0 112.03 179.847 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.0 p -90.77 -167.97 1.96 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.673 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.432 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -62.32 -38.63 90.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.94 179.809 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.97 -48.28 74.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.316 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.799 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 5.8 m-20 -64.32 -55.14 23.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.684 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.479 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -57.93 -32.0 67.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.919 0.39 . . . . 0.0 110.171 179.644 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 13.0 tt0 -69.38 -35.44 75.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.806 178.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -65.68 -36.18 82.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.796 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.654 ' O ' HD23 ' A' ' 17' ' ' LEU . 1.8 tp -64.07 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.006 179.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.693 HD22 ' O ' ' A' ' 19' ' ' LEU . 12.5 mt -69.9 -42.46 73.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.352 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.93 -46.54 74.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.6 -13.55 60.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.852 179.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.694 ' O ' ' HB1' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -89.93 -7.73 53.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.82 -179.787 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.55 19.44 3.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.399 0.619 . . . . 0.0 109.656 -178.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.929 HD13 ' HA ' ' A' ' 30' ' ' MET . 6.0 tt -113.23 110.96 50.43 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.856 -179.115 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.464 ' O ' HD13 ' A' ' 23' ' ' LEU . 73.9 Cg_exo -50.08 166.83 0.25 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.645 2.23 . . . . 0.0 113.214 -178.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.78 -3.29 58.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.394 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -79.03 -32.67 45.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.075 0.464 . . . . 0.0 111.149 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.669 HD22 ' C ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -102.75 10.92 38.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.201 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.639 ' HE3' HD21 ' A' ' 14' ' ' LEU . 25.0 t-105 -55.01 105.81 0.18 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.98 0.419 . . . . 0.0 110.858 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 151.6 -27.22 0.95 Allowed Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.444 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -80.42 94.01 6.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.516 0.198 . . . . 0.0 111.026 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.551 ' CE1' HG11 ' A' ' 66' ' ' VAL . 19.8 t80 -47.48 -41.73 21.31 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.883 0.373 . . . . 0.0 111.377 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.478 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -60.01 -33.23 78.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.542 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.29 -49.37 10.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.645 0.259 . . . . 0.0 111.395 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.929 ' HA ' HD13 ' A' ' 19' ' ' LEU . 15.1 ptp -61.77 -49.12 77.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.524 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -62.94 -39.65 95.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.786 0.327 . . . . 0.0 110.259 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.478 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.5 OUTLIER -61.31 -32.41 72.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.903 179.213 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.694 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -81.28 -43.19 19.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.293 179.283 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.533 ' HB2' HD11 ' A' ' 17' ' ' LEU . 17.1 t80 -53.38 -48.78 68.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.79 179.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.48 -32.47 70.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.771 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.02 -41.83 98.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.708 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.435 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 77.5 mm-40 -86.25 -18.38 32.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.101 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.4 m -72.18 -38.34 69.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.435 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.42 ' O ' ' HD3' ' A' ' 45' ' ' LYS . 4.3 mt -62.73 -33.05 74.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.158 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 4.1 pp -87.92 -15.89 35.38 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.919 -0.313 . . . . 0.0 110.879 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 45.0 mt -95.34 7.94 44.67 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 120.7 0.286 . . . . 0.0 111.026 178.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.458 ' ND1' ' HD2' ' A' ' 43' ' ' PRO . 16.1 t60 -87.27 133.62 38.24 Favored Pre-proline 0 N--CA 1.455 -0.209 0 CA-C-O 120.711 0.291 . . . . 0.0 110.992 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.458 ' HD2' ' ND1' ' A' ' 42' ' ' HIS . 81.2 Cg_exo -46.14 -30.56 7.73 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.087 2.525 . . . . 0.0 112.837 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -70.01 -11.9 61.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.285 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.471 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 2.5 mptp? -123.56 29.71 6.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.909 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.3 67.04 2.2 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.604 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -137.12 169.15 24.09 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.521 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.732 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -90.02 145.21 25.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.788 0.328 . . . . 0.0 110.911 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.413 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 1.1 t60 -76.6 -46.66 25.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.711 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.38 -32.67 64.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.354 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.732 HD13 ' HB2' ' A' ' 48' ' ' SER . 0.7 OUTLIER -66.97 -49.41 65.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.02 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -27.23 68.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.233 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 4.3 mm-40 -78.57 -40.89 33.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.653 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -63.68 -45.21 91.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.713 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.513 HD12 HD12 ' A' ' 13' ' ' LEU . 13.4 tp -58.84 -47.28 85.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.08 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -57.21 -27.7 62.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.046 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.0 m -71.13 -43.88 66.7 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.041 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.529 HD23 HD23 ' A' ' 5' ' ' LEU . 9.7 mt -75.95 -28.83 58.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.775 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.587 ' HB2' HD11 ' A' ' 13' ' ' LEU . 68.9 t-105 -89.44 -18.05 27.53 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.425 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.1 -63.06 2.47 Favored Glycine 0 C--N 1.334 0.431 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.885 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.539 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -55.3 -49.94 70.84 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 178.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.539 ' N ' ' CG2' ' A' ' 61' ' ' THR . 4.0 t80 -44.16 -49.5 9.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 113.517 -1.674 . . . . 0.0 109.467 178.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.583 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 2.8 ttmt -57.38 -39.72 76.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.308 -1.315 . . . . 0.0 111.495 179.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 61' ' ' THR . 95.6 m -49.22 -38.18 25.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.333 0.587 . . . . 0.0 109.476 179.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -84.35 -30.22 25.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.463 178.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.91 ' HA ' HD23 ' A' ' 69' ' ' LEU . 50.7 t -53.25 -46.79 57.14 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.015 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -55.88 -26.77 48.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.073 0.463 . . . . 0.0 110.319 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -90.76 -24.11 20.46 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.412 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.91 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.7 OUTLIER -69.67 -22.12 63.47 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.756 0.312 . . . . 0.0 111.045 -179.734 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -79.17 1.1 25.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.104 0.478 . . . . 0.0 111.327 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 27.6 mmm -110.73 -57.42 2.23 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.824 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -60.02 99.42 0.07 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.165 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.9 mt -87.16 87.34 7.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.716 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.25 -165.55 15.92 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.519 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -157.46 -164.35 13.67 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.402 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 23.5 m -77.84 131.21 37.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.791 0.329 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.7 21.93 3.46 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.679 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.425 ' HD1' ' O ' ' A' ' 79' ' ' GLN . 34.8 p90 -71.97 157.59 37.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.9 0.381 . . . . 0.0 110.878 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.425 ' O ' ' HD1' ' A' ' 78' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.168 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.066 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.778 0.323 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.11 -174.02 0.23 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.89 79.7 2.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.96 0.409 . . . . 0.0 110.726 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 4' ' ' VAL . 25.3 m -139.11 117.89 12.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.931 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.784 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER -78.54 140.46 38.53 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.585 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 p -85.73 179.37 7.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.058 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 43.4 ttm-85 -50.83 -39.14 52.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.24 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.29 -48.9 68.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.601 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.784 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 5.5 m-20 -63.19 -57.09 11.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.034 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.687 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -55.65 -33.43 64.05 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.008 0.433 . . . . 0.0 110.034 179.605 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.415 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 10.8 tt0 -69.6 -33.92 73.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.317 178.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.556 ' O ' HD12 ' A' ' 16' ' ' LEU . 40.5 ttt85 -66.1 -37.31 85.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.726 178.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.598 HD12 HD12 ' A' ' 55' ' ' LEU . 1.8 tp -60.18 -36.77 78.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.945 179.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.899 HD12 ' HG3' ' A' ' 21' ' ' ARG . 10.5 mt -68.0 -37.03 80.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.662 179.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.3 -38.53 68.77 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.961 0.41 . . . . 0.0 110.419 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.556 HD12 ' O ' ' A' ' 12' ' ' ARG . 1.4 mp -84.38 -19.02 34.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.745 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.677 ' CD2' HD11 ' A' ' 55' ' ' LEU . 1.2 mm? -89.22 -6.42 56.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.93 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 mptt 56.03 19.2 3.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.366 0.603 . . . . 0.0 109.818 -178.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.773 HD13 ' HA ' ' A' ' 30' ' ' MET . 4.6 tt -112.1 107.27 55.94 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.136 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.448 ' O ' HD13 ' A' ' 23' ' ' LEU . 64.3 Cg_exo -51.89 168.34 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.881 2.387 . . . . 0.0 113.766 -178.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.899 ' HG3' HD12 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -84.96 -6.24 59.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.132 179.388 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -76.61 -31.79 57.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.464 -178.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.698 HD21 ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -107.96 12.98 26.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.167 179.846 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.541 ' HE3' HD11 ' A' ' 14' ' ' LEU . 30.8 t-105 -55.38 106.21 0.22 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.117 179.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 150.04 -24.32 1.14 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.692 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -78.84 85.08 4.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.761 0.315 . . . . 0.0 110.972 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.661 ' CE1' HG11 ' A' ' 66' ' ' VAL . 14.2 t80 -44.57 -40.12 5.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.963 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.06 -40.41 97.04 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.787 -0.72 . . . . 0.0 113.209 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.23 -50.65 12.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.683 0.241 . . . . 0.0 111.586 -179.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.773 ' HA ' HD13 ' A' ' 19' ' ' LEU . 15.4 ptp -57.69 -45.42 85.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.595 0.236 . . . . 0.0 111.099 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -62.61 -38.9 92.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.962 0.41 . . . . 0.0 109.947 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -63.25 -33.19 74.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.776 179.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.435 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -80.3 -41.0 25.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.371 179.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.491 ' HB2' HD11 ' A' ' 17' ' ' LEU . 11.9 t80 -54.32 -42.86 70.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.984 0.421 . . . . 0.0 110.371 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.414 ' HA ' ' HB2' ' A' ' 38' ' ' SER . 0.7 OUTLIER -76.33 -37.55 57.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.53 179.783 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -60.62 -37.69 82.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.344 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.548 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 17.5 mm100 -87.37 -20.96 25.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.941 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.414 ' HB2' ' HA ' ' A' ' 35' ' ' LYS . 1.5 m -66.69 -27.15 67.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.851 0.358 . . . . 0.0 110.582 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.03 -31.39 62.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.209 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 4.4 pp -89.43 -15.21 33.7 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.101 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.695 HD22 ' HB3' ' A' ' 51' ' ' LEU . 87.9 mt -92.24 5.47 50.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.627 0.251 . . . . 0.0 111.269 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.476 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 4.0 t60 -87.8 135.93 33.24 Favored Pre-proline 0 C--N 1.331 -0.198 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.476 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 15.4 Cg_endo -58.03 -2.92 0.95 Allowed 'Trans proline' 0 CA--C 1.532 0.403 0 C-N-CA 122.79 2.326 . . . . 0.0 113.436 -179.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.01 -25.39 20.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.723 0.297 . . . . 0.0 110.944 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -105.59 30.91 5.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.722 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.06 32.81 85.41 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.556 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -95.51 174.84 32.47 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.576 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.689 ' HB2' HD13 ' A' ' 51' ' ' LEU . 2.0 m -90.05 149.03 22.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.746 0.308 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 35.3 t-80 -83.23 -39.25 21.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.475 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -66.17 -27.51 68.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.419 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.695 ' HB3' HD22 ' A' ' 41' ' ' LEU . 0.5 OUTLIER -73.56 -51.28 17.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.735 0.302 . . . . 0.0 111.115 -179.851 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.12 -48.0 68.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.459 -179.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -69.08 -31.12 69.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.215 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.475 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 16.1 tt0 -63.86 -50.86 67.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.775 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.677 HD11 ' CD2' ' A' ' 17' ' ' LEU . 9.9 tp -56.44 -37.8 70.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.079 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -65.91 -29.83 70.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.8 t -78.69 -35.84 44.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.143 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.565 ' HB3' HD13 ' A' ' 13' ' ' LEU . 1.4 mt -83.89 -30.96 25.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.118 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.649 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 73.5 t-105 -85.3 -15.7 42.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.542 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.88 -65.21 2.0 Allowed Glycine 0 C--N 1.333 0.398 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.401 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.539 ' CG2' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -55.15 -49.52 71.61 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 179.451 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.523 ' N ' ' CG2' ' A' ' 61' ' ' THR . 3.0 t80 -44.16 -53.14 6.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 113.564 -1.653 . . . . 0.0 109.488 178.101 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.649 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 2.4 ttmt -53.71 -41.78 67.33 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.265 -1.334 . . . . 0.0 111.142 179.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 28.2 m -48.3 -37.11 15.59 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -85.54 -31.25 22.81 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.635 178.22 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.893 ' HA ' HD23 ' A' ' 69' ' ' LEU . 89.1 t -57.01 -58.01 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.196 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -49.33 -33.83 14.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.83 0.348 . . . . 0.0 110.967 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -90.64 -21.13 21.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.646 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.893 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -58.62 -32.66 69.23 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 120.789 0.328 . . . . 0.0 110.803 -179.269 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.424 ' NH1' ' CD2' ' A' ' 27' ' ' PHE . 46.1 mtm-85 -78.3 0.98 23.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.669 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.0 mtt -120.27 -49.97 2.26 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.433 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -63.39 148.76 47.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.808 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.22 -67.18 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.806 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.37 170.38 44.77 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.479 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 153.77 -23.46 0.72 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.725 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 30.7 p -62.28 144.76 55.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.337 . . . . 0.0 110.943 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 173.67 -50.19 0.15 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.375 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -79.69 137.9 37.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.745 0.307 . . . . 0.0 110.705 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.96 -179.89 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.2 mtt . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 120.852 0.358 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -67.72 -169.07 0.11 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.815 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -91.62 88.76 6.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.905 0.383 . . . . 0.0 110.771 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.7 m -80.95 137.76 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.701 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.7 ' HB2' ' HB3' ' A' ' 9' ' ' ASP . 1.4 pt? -90.69 124.87 35.43 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.102 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.8 p -64.12 179.11 0.58 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.643 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.408 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 1.6 ttt180 -59.24 -33.47 71.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.28 -29.68 64.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.629 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.7 ' HB3' ' HB2' ' A' ' 5' ' ' LEU . 8.8 m-20 -69.23 -57.98 4.64 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.56 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.527 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -50.0 -42.09 48.4 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.811 0.339 . . . . 0.0 110.448 179.756 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 7' ' ' ARG . 53.1 mt-10 -67.74 -35.43 78.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.138 179.062 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.67 -38.84 67.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.859 179.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.556 ' O ' HD13 ' A' ' 17' ' ' LEU . 1.6 tp -61.05 -27.5 68.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.87 178.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.694 HD21 ' HE3' ' A' ' 24' ' ' TRP . 12.3 mt -75.33 -51.71 12.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.849 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -52.12 -24.71 7.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.181 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.467 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 3.5 mt -89.0 -30.74 18.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.24 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.691 HD11 HD11 ' A' ' 55' ' ' LEU . 7.3 mp -82.16 1.92 33.98 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.3 mttt 53.94 19.66 2.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.368 0.604 . . . . 0.0 110.062 -178.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.74 HD13 ' HA ' ' A' ' 30' ' ' MET . 5.5 tt -109.36 111.21 59.93 Favored Pre-proline 0 N--CA 1.451 -0.425 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.951 -179.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.438 ' O ' HD13 ' A' ' 23' ' ' LEU . 73.0 Cg_exo -49.6 168.83 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.873 2.382 . . . . 0.0 113.736 -178.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.33 -3.09 57.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.233 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -79.57 -29.24 41.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.082 0.468 . . . . 0.0 110.896 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.728 ' O ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -107.72 14.85 25.17 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.952 179.898 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.694 ' HE3' HD21 ' A' ' 14' ' ' LEU . 35.9 t-105 -58.24 89.04 0.01 OUTLIER 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.037 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 166.18 -29.5 0.19 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.749 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -76.72 88.65 3.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.902 0.382 . . . . 0.0 111.097 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.767 ' CD1' HG11 ' A' ' 66' ' ' VAL . 4.7 t80 -46.09 -38.44 8.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.926 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.51 -34.89 90.81 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.834 -0.698 . . . . 0.0 113.042 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -79.83 -42.83 23.53 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 122.789 -0.242 . . . . 0.0 111.489 -179.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.74 ' HA ' HD13 ' A' ' 19' ' ' LEU . 10.7 ptp -69.59 -39.19 77.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.616 0.246 . . . . 0.0 111.198 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -64.24 -37.83 88.87 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -63.71 -40.38 96.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.987 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.7 -32.51 62.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.414 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.508 ' CE2' ' CG ' ' A' ' 59' ' ' TRP . 11.8 t80 -65.89 -40.87 91.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.484 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.45 -38.52 91.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.81 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -74.45 -48.25 28.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.477 ' HG2' ' HA ' ' A' ' 17' ' ' LEU . 3.3 mp0 -60.13 -27.48 67.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.94 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.1 m -70.88 -30.4 66.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.533 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.469 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 9.9 mt -70.15 -31.82 69.5 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.795 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.456 HD12 ' N ' ' A' ' 41' ' ' LEU . 3.9 pp -88.76 -17.61 29.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.998 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.456 ' N ' HD12 ' A' ' 40' ' ' LEU . 3.3 mt -95.6 -1.43 50.36 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.364 179.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -75.93 121.07 84.32 Favored Pre-proline 0 CA--C 1.529 0.172 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.096 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -42.64 -26.01 0.57 Allowed 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.811 2.34 . . . . 0.0 113.151 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.53 -11.86 54.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.526 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 39' ' ' LEU . 30.1 mmtt -117.51 31.04 6.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.795 0.331 . . . . 0.0 110.902 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.66 21.59 79.52 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.6 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -91.73 170.18 33.34 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.419 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.744 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -90.21 155.43 19.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.864 0.364 . . . . 0.0 110.909 -179.88 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -83.23 -50.96 7.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.79 -24.76 37.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.307 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.744 HD13 ' HB2' ' A' ' 48' ' ' SER . 0.8 OUTLIER -77.46 -49.88 13.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.906 0.384 . . . . 0.0 111.272 -179.76 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 7.8 tpt -61.31 -52.02 66.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.366 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -61.49 -31.47 71.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.908 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.437 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -63.09 -48.91 76.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.104 0.478 . . . . 0.0 110.391 179.602 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.691 HD11 HD11 ' A' ' 17' ' ' LEU . 3.1 tp -66.79 -37.27 84.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.03 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -62.27 -43.3 99.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.71 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.9 m -74.01 -30.58 62.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.794 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.538 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 1.4 mt -79.77 -22.53 43.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.916 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.565 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 64.4 t-105 -89.13 -17.57 28.95 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.106 179.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.452 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -81.11 -58.07 2.69 Favored Glycine 0 C--N 1.334 0.422 0 C-N-CA 120.875 -0.679 . . . . 0.0 111.807 178.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.516 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -57.56 -48.58 78.94 Favored 'General case' 0 CA--C 1.515 -0.394 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 178.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.516 ' N ' ' CG2' ' A' ' 61' ' ' THR . 2.8 t80 -46.35 -57.47 4.59 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 113.695 -1.593 . . . . 0.0 109.412 177.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.565 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 3.2 ttmt -48.05 -46.06 32.94 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.298 -1.319 . . . . 0.0 111.413 179.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 92.1 m -50.75 -35.28 30.81 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.429 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 0.8 OUTLIER -84.9 -30.94 23.98 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.187 178.067 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.972 ' HA ' HD23 ' A' ' 69' ' ' LEU . 77.8 t -55.18 -42.56 66.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.343 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -64.34 -36.84 85.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.702 0.287 . . . . 0.0 111.131 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.429 ' ND2' ' HA ' ' A' ' 65' ' ' GLU . 19.0 p30 -89.15 -12.38 41.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.654 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.972 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -64.92 -38.52 91.23 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 121.01 0.433 . . . . 0.0 110.263 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -74.96 1.05 13.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.862 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 27.6 mtp -115.94 -57.5 2.21 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.674 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -63.16 138.25 58.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.637 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.9 tt -128.19 -63.16 1.01 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -148.5 -141.01 3.41 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.53 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -156.74 -86.67 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.7 t -74.16 140.37 45.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.766 0.317 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 133.85 -27.5 3.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.437 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -70.42 168.02 16.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.89 0.376 . . . . 0.0 110.949 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 mtt . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 120.936 0.398 . . . . 0.0 111.385 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -79.53 117.76 20.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.069 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.15 106.78 3.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.671 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 19.2 m -82.26 124.24 39.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.407 0.622 . . . . 0.0 111.387 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.792 HD13 ' HB3' ' A' ' 10' ' ' LYS . 0.6 OUTLIER -90.62 143.29 26.88 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.709 -179.918 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.7 p -83.39 -171.3 3.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.295 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.436 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . 2.5 ptm180 -60.23 -36.68 78.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.641 0.257 . . . . 0.0 111.333 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.3 -48.35 61.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.777 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.747 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 4.9 m-20 -63.15 -47.65 81.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.289 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.792 ' HB3' HD13 ' A' ' 5' ' ' LEU . 9.3 pttp -59.93 -33.23 71.62 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.068 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.425 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 1.1 mt-10 -68.73 -36.19 78.1 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.581 178.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -64.52 -31.16 72.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.229 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.754 ' O ' HD23 ' A' ' 17' ' ' LEU . 3.6 tp -63.76 -41.66 97.94 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 121.2 0.524 . . . . 0.0 109.713 179.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.645 HD21 ' HE3' ' A' ' 24' ' ' TRP . 14.9 mt -62.72 -40.8 98.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.283 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -52.1 -53.26 44.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.872 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.489 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 0.6 OUTLIER -74.96 -11.23 60.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.614 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.754 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.3 mm? -90.47 -8.96 49.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.87 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 54.05 20.08 2.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.248 0.547 . . . . 0.0 110.103 -178.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.826 HD13 ' HA ' ' A' ' 30' ' ' MET . 4.1 tt -110.04 109.95 58.88 Favored Pre-proline 0 N--CA 1.451 -0.423 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.017 -179.224 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -49.41 170.73 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.033 2.489 . . . . 0.0 114.128 -178.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.526 ' HG2' ' CD1' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -90.13 -3.41 57.91 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.502 179.73 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -82.88 -26.67 31.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.883 0.373 . . . . 0.0 111.284 -178.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.761 ' CD2' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -109.89 12.21 23.94 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.458 -179.791 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.645 ' HE3' HD21 ' A' ' 14' ' ' LEU . 54.8 t-105 -52.31 101.15 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.989 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.75 -26.46 0.83 Allowed Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.782 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.425 ' O ' ' HG2' ' A' ' 30' ' ' MET . 15.0 t70 -76.69 91.73 3.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.668 0.271 . . . . 0.0 111.156 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.846 ' CD1' HG11 ' A' ' 66' ' ' VAL . 20.7 t80 -49.6 -34.58 18.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.796 -179.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.9 -36.9 91.75 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.828 -0.701 . . . . 0.0 113.487 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.73 -34.31 30.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.92 0.36 . . . . 0.0 111.867 -179.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.826 ' HA ' HD13 ' A' ' 19' ' ' LEU . 17.5 ptp -71.68 -45.98 60.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.551 0.215 . . . . 0.0 111.011 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -64.89 -37.76 88.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.944 0.402 . . . . 0.0 109.933 179.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.481 ' O ' ' HB2' ' A' ' 36' ' ' GLN . 2.5 mt-30 -61.85 -28.51 69.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.939 179.072 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.598 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -85.91 -43.66 13.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.616 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.486 ' CD2' ' CG ' ' A' ' 59' ' ' TRP . 9.1 t80 -51.62 -42.43 61.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.609 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.42 -39.14 47.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.733 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.481 ' HB2' ' O ' ' A' ' 32' ' ' GLN . 0.1 OUTLIER -61.5 -42.75 99.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.434 179.707 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 2.3 mp0 -81.12 -21.34 39.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.723 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.6 m -62.73 -26.24 68.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.921 0.391 . . . . 0.0 110.383 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 23.6 mt -70.44 -46.89 62.97 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.55 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.0 pp -68.94 -20.02 64.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.703 0.287 . . . . 0.0 110.859 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.401 HD22 HD22 ' A' ' 51' ' ' LEU . 61.1 mt -95.57 7.33 46.55 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.338 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.415 ' ND1' ' HD2' ' A' ' 43' ' ' PRO . 51.0 t-80 -89.98 136.72 28.7 Favored Pre-proline 0 CA--C 1.531 0.232 0 CA-C-O 120.689 0.281 . . . . 0.0 110.425 179.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.415 ' HD2' ' ND1' ' A' ' 42' ' ' HIS . 73.5 Cg_exo -47.89 -12.91 0.17 Allowed 'Trans proline' 0 CA--C 1.533 0.429 0 C-N-CA 123.042 2.495 . . . . 0.0 113.904 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.84 -23.3 22.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.786 0.327 . . . . 0.0 111.012 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.5 mptt -115.63 29.22 8.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.776 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.2 62.97 3.84 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.438 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -124.49 153.78 17.77 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.799 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.679 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -90.24 157.2 17.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.748 0.308 . . . . 0.0 111.008 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -79.26 -51.31 9.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.54 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.9 -25.39 7.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.504 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.679 HD13 ' HB2' ' A' ' 48' ' ' SER . 2.5 mp -78.79 -51.95 9.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -30.07 69.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.004 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -77.09 -45.61 26.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.615 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.33 -41.64 93.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.578 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.461 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 7.5 tp -60.76 -51.45 69.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.389 179.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -57.02 -31.09 64.78 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.177 179.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 m -74.87 -49.72 19.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.131 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.502 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 5.0 mt -73.9 -25.66 60.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.404 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.563 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 60.0 t-105 -89.93 -17.68 27.51 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.425 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -77.94 -61.9 2.45 Favored Glycine 0 C--N 1.336 0.546 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.088 179.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.542 ' CG2' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -55.34 -50.07 70.59 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 179.194 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.538 ' N ' ' CG2' ' A' ' 61' ' ' THR . 7.0 t80 -43.82 -54.45 5.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 113.391 -1.732 . . . . 0.0 109.458 177.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.563 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 3.0 ttmt -51.15 -42.68 60.93 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.359 -1.291 . . . . 0.0 111.036 179.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 61' ' ' THR . 63.2 m -50.65 -35.79 32.39 Favored 'General case' 0 CA--C 1.521 -0.173 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -85.37 -29.0 24.8 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.59 178.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.889 ' HA ' HD23 ' A' ' 69' ' ' LEU . 71.9 t -58.98 -43.4 88.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.33 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -60.94 -37.97 84.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.72 0.295 . . . . 0.0 110.766 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -90.43 -12.97 35.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 112.076 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.889 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -65.26 -28.05 69.07 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.189 -179.876 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.401 ' HA ' ' CD1' ' A' ' 73' ' ' LEU . 40.1 mtt-85 -73.1 0.76 10.62 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.723 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.6 -24.86 10.74 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.676 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -92.67 37.62 1.01 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.886 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.401 ' CD1' ' HA ' ' A' ' 70' ' ' ARG . 0.2 OUTLIER -90.58 14.6 12.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.268 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -137.19 -134.21 3.24 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.574 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.28 30.8 3.25 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.731 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 10.7 t -64.45 147.46 52.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.843 0.354 . . . . 0.0 110.761 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -101.04 -66.69 0.8 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.741 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -100.18 113.87 26.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.952 0.406 . . . . 0.0 111.207 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.15 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.2 mtt . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.766 0.317 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.07 146.18 48.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.836 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -100.33 77.9 1.99 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.027 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.9 m -131.65 128.41 60.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.162 0.506 . . . . 0.0 111.017 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.797 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.0 pt? -88.47 146.12 25.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.009 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.5 p -88.19 -171.11 3.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.263 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.422 ' HG2' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -62.41 -32.9 73.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.778 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.422 ' N ' ' HG2' ' A' ' 7' ' ' ARG . . . -68.98 -33.86 74.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.312 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.797 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 3.3 m-20 -69.47 -56.94 5.96 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.109 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.5 ' HD3' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -60.09 -45.3 93.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.48 -179.398 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.5 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -63.63 -29.94 71.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.776 0.322 . . . . 0.0 110.941 -179.783 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.657 HH21 HD21 ' A' ' 16' ' ' LEU . 6.4 tpt180 -78.8 -34.43 45.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.04 0.448 . . . . 0.0 110.026 179.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.632 HD12 HD12 ' A' ' 55' ' ' LEU . 1.9 tp -66.2 -32.59 74.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.945 179.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.893 HD22 ' O ' ' A' ' 19' ' ' LEU . 12.8 mt -69.57 -35.32 75.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.53 179.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -58.34 -46.24 86.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.445 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.657 HD21 HH21 ' A' ' 12' ' ' ARG . 22.5 mt -76.23 -16.3 59.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.816 179.284 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.774 ' CD2' HD11 ' A' ' 55' ' ' LEU . 1.1 mm? -90.17 -9.94 46.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.587 -179.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.29 22.38 1.37 Allowed 'General case' 0 C--O 1.231 0.098 0 CA-C-O 121.37 0.605 . . . . 0.0 109.955 -178.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.893 ' O ' HD22 ' A' ' 14' ' ' LEU . 3.9 tt -112.78 111.7 51.19 Favored Pre-proline 0 N--CA 1.449 -0.496 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.776 -178.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.426 ' O ' HD13 ' A' ' 23' ' ' LEU . 80.5 Cg_exo -45.41 166.55 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.71 2.273 . . . . 0.0 113.432 -178.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.476 ' HG2' HD12 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -89.02 -3.15 58.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.169 179.591 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.77 -31.3 46.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.031 0.443 . . . . 0.0 111.012 -179.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.797 ' O ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -106.91 19.49 20.39 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.659 179.829 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.609 ' HE3' HD21 ' A' ' 14' ' ' LEU . 66.3 t-105 -55.2 -17.55 4.55 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.655 179.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.33 -19.8 68.32 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.715 -0.755 . . . . 0.0 113.198 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -83.72 126.21 32.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.878 0.371 . . . . 0.0 111.021 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.605 ' CE1' HG11 ' A' ' 66' ' ' VAL . 27.1 t80 -82.52 -40.31 21.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.042 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.01 -28.92 73.51 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.756 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.542 ' HB3' HD11 ' A' ' 19' ' ' LEU . 32.5 mmt180 -74.94 -50.2 17.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.89 0.376 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.854 ' HA ' HD13 ' A' ' 19' ' ' LEU . 12.5 ptp -59.23 -48.23 82.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.101 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -60.04 -36.08 76.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.839 0.352 . . . . 0.0 110.809 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -60.53 -42.44 96.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.509 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.54 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -77.49 -39.95 44.59 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.677 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.452 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 9.6 t80 -49.47 -46.74 48.44 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.864 0.364 . . . . 0.0 110.617 179.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -75.57 -30.21 59.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.814 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.13 -30.94 63.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.669 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.506 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 43.4 mm-40 -90.03 -19.46 24.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.092 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.5 p -69.61 -27.59 65.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.652 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.409 ' O ' ' HE3' ' A' ' 45' ' ' LYS . 0.7 OUTLIER -75.43 -30.04 59.9 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.336 -179.79 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.8 pp -89.78 -18.74 25.74 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 121.093 -0.243 . . . . 0.0 110.97 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.1 mt -94.49 12.44 27.28 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.753 0.311 . . . . 0.0 110.691 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.532 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 12.4 t-80 -83.78 136.13 42.2 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.391 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.532 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 19.6 Cg_endo -58.9 -15.21 25.94 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.679 2.253 . . . . 0.0 112.942 -179.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -86.47 -21.66 26.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.645 0.26 . . . . 0.0 110.994 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.475 ' HD3' ' N ' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -103.77 30.74 4.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.661 -179.861 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 62.96 47.6 87.46 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.564 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -115.98 168.23 12.63 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.415 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.521 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -90.07 141.39 28.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.798 0.332 . . . . 0.0 110.715 179.882 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.459 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 34.8 p80 -74.25 -38.8 63.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.817 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.408 ' HA ' ' HG2' ' A' ' 53' ' ' GLN . . . -57.04 -25.22 58.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.591 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.521 HD13 ' HB2' ' A' ' 48' ' ' SER . 1.4 mp -79.78 -50.05 11.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.199 -179.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.8 tpt -60.58 -44.63 96.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.222 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 2.3 pt20 -64.02 -25.1 67.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.075 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -79.84 -43.07 23.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.01 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.774 HD11 ' CD2' ' A' ' 17' ' ' LEU . 10.2 tp -56.43 -49.96 73.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.183 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -61.84 -31.8 72.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.871 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.4 t -80.17 -35.11 36.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.947 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.599 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 16.6 mt -83.74 -24.14 31.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.083 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.605 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 67.7 t-105 -89.99 -24.99 21.09 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.54 -61.76 3.49 Favored Glycine 0 C--N 1.335 0.476 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.17 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.684 HG23 HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -53.11 -47.07 68.91 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 178.883 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.535 ' HB2' ' O ' ' A' ' 58' ' ' LEU . 2.2 t80 -48.84 -52.48 23.92 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 113.0 -1.909 . . . . 0.0 109.33 177.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.605 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -55.75 -37.77 68.95 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.315 -1.311 . . . . 0.0 111.156 179.675 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.2 m -47.2 -39.4 13.87 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.274 0.559 . . . . 0.0 109.654 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -85.54 -30.27 23.52 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.787 178.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.983 ' HA ' HD23 ' A' ' 69' ' ' LEU . 66.9 t -54.15 -41.33 50.67 Favored 'Isoleucine or valine' 0 C--O 1.231 0.117 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.084 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -64.06 -30.76 71.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.95 0.405 . . . . 0.0 110.544 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -90.62 -22.0 21.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.454 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.983 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -59.52 -32.54 70.4 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.585 0.231 . . . . 0.0 110.833 -179.483 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 56.1 mtp85 -72.48 0.81 9.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.951 0.405 . . . . 0.0 111.845 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 33.2 mtt -124.34 -62.34 1.27 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.558 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -71.29 137.88 48.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.23 -36.19 5.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.46 37.43 3.77 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.527 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -108.95 -103.92 2.87 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.574 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 71.4 p -90.08 14.93 11.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.485 0.183 . . . . 0.0 111.269 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.92 -61.3 4.33 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -82.08 151.83 26.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.82 0.343 . . . . 0.0 111.018 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.767 179.89 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.732 0.301 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -106.12 15.1 26.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.36 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 29.0 mtm180 -110.01 81.76 1.49 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.26 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.5 m -135.27 127.15 46.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.018 0.437 . . . . 0.0 111.37 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.776 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.6 pt? -83.6 148.77 26.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 p -90.08 -179.44 5.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.487 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 58.0 ttp85 -52.99 -35.62 59.47 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.656 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.82 -43.57 95.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.234 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.776 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 1.2 m-20 -69.56 -55.4 10.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.588 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.466 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -54.04 -42.71 69.49 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.757 0.313 . . . . 0.0 110.657 -179.33 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.456 ' HG2' ' HD3' ' A' ' 10' ' ' LYS . 4.9 mm-40 -67.74 -28.22 67.45 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.61 -48.13 42.16 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.523 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.554 ' O ' HD23 ' A' ' 17' ' ' LEU . 1.4 tp -58.44 -32.34 68.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.32 179.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.652 HD21 ' HE3' ' A' ' 24' ' ' TRP . 13.5 mt -66.01 -42.27 89.9 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.154 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -58.58 -37.92 76.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.1 0.476 . . . . 0.0 110.605 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.422 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 9.6 mp -81.98 -17.52 46.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.018 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.554 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.1 mm? -90.21 -5.87 55.91 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? 55.31 19.77 3.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.446 0.641 . . . . 0.0 109.74 -178.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.79 HD21 ' CD2' ' A' ' 23' ' ' LEU . 4.4 tt -111.23 110.74 56.01 Favored Pre-proline 0 N--CA 1.45 -0.453 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.486 -179.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.426 ' HB2' HD12 ' A' ' 23' ' ' LEU . 80.2 Cg_exo -45.95 167.74 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.836 2.357 . . . . 0.0 113.645 -178.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.482 ' HG3' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -90.22 -2.88 58.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.48 179.853 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -82.57 -29.59 30.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.788 0.328 . . . . 0.0 111.492 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.79 ' CD2' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -104.48 14.44 30.04 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.297 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.652 ' HE3' HD21 ' A' ' 14' ' ' LEU . 53.3 t-105 -52.94 97.96 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.192 179.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 157.13 -24.82 0.47 Allowed Glycine 0 C--N 1.332 0.321 0 C-N-CA 120.618 -0.801 . . . . 0.0 113.002 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -75.05 91.94 2.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.64 0.257 . . . . 0.0 111.203 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.791 ' CE1' HG11 ' A' ' 66' ' ' VAL . 29.2 t80 -51.58 -33.34 32.23 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.388 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.461 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -67.13 -35.82 89.36 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.62 -0.8 . . . . 0.0 113.0 -179.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -79.49 -46.02 18.23 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.687 0.255 . . . . 0.0 111.687 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.447 ' CG ' ' HA ' ' A' ' 27' ' ' PHE . 18.2 ptp -60.37 -47.19 87.12 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.339 -179.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -64.71 -35.08 79.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.757 0.313 . . . . 0.0 110.36 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.461 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -65.56 -41.74 92.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.123 0.487 . . . . 0.0 110.046 179.152 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.468 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -73.02 -41.49 64.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.604 179.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.466 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 9.0 t80 -49.43 -43.65 44.87 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.783 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.0 -36.05 61.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -66.2 -35.17 79.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.717 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.422 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 27.7 mm100 -89.11 -20.7 23.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.164 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.07 -31.47 69.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.578 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.3 mt -70.73 -39.82 73.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.936 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 pp -84.56 -11.98 55.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.302 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.666 HD22 ' HB3' ' A' ' 51' ' ' LEU . 29.7 mt -93.42 -3.94 52.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.211 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.483 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 9.3 t-80 -82.84 130.37 58.2 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.723 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.483 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 86.1 Cg_exo -45.38 -28.6 4.01 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.926 2.417 . . . . 0.0 113.381 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.15 -11.02 60.18 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.239 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.463 ' HE2' ' HB3' ' A' ' 42' ' ' HIS . 0.1 OUTLIER -119.67 31.36 6.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.798 0.332 . . . . 0.0 110.867 -179.798 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.33 57.02 11.09 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.49 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -133.2 173.12 21.2 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.44 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.22 151.02 21.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.919 0.39 . . . . 0.0 111.035 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 63.8 t60 -83.13 -26.7 30.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.071 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.1 -26.64 53.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.457 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.666 ' HB3' HD22 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -77.14 -49.13 15.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.873 -179.824 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -46.79 85.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.015 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -33.52 76.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.823 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -69.19 -35.76 76.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.611 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.521 HD22 ' CD1' ' A' ' 41' ' ' LEU . 13.2 tp -58.68 -51.11 71.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.325 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -61.59 -35.82 78.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.178 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.2 p -73.55 -37.37 65.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.042 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.613 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 13.3 mt -81.15 -26.16 36.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.215 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.604 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 62.0 t-105 -90.05 -26.4 20.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.974 0.416 . . . . 0.0 110.021 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.47 -67.35 1.98 Allowed Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.044 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.54 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -49.9 -50.1 47.25 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 179.068 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.54 ' N ' ' CG2' ' A' ' 61' ' ' THR . 3.8 t80 -45.6 -50.85 12.85 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 113.6 -1.636 . . . . 0.0 109.203 177.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.604 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -56.33 -35.65 67.84 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 114.019 -1.446 . . . . 0.0 110.884 179.398 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.8 m -48.06 -39.46 20.1 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 121.338 0.59 . . . . 0.0 109.546 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -84.96 -30.95 23.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.706 178.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.946 ' HA ' HD23 ' A' ' 69' ' ' LEU . 77.5 t -54.59 -40.77 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.179 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -64.73 -29.68 70.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.567 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -90.8 -23.32 20.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.499 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.946 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -58.75 -38.69 78.98 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.895 0.379 . . . . 0.0 110.632 -179.576 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 70' ' ' ARG . 22.5 mtp85 -82.74 1.23 39.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.111 0.481 . . . . 0.0 111.505 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 14.9 mtt -109.26 -30.39 8.03 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.84 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -93.13 -71.9 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.061 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 24.7 tp -94.78 -70.8 0.69 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 122.9 -131.4 8.22 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.64 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -111.98 57.65 0.42 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.644 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.7 p -117.41 -37.15 3.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.771 0.32 . . . . 0.0 110.955 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 61.88 25.4 65.83 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.564 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -86.84 128.09 35.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.741 0.305 . . . . 0.0 110.892 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.879 179.769 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 120.759 0.314 . . . . 0.0 111.283 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -79.32 112.45 16.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.788 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -138.59 67.63 1.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.1 m -137.91 126.72 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.065 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.694 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.5 OUTLIER -85.17 140.77 30.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.75 179.835 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.6 p -88.9 -167.17 1.8 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.12 -179.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.536 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 14.5 mtt-85 -60.62 -37.9 82.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.204 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.22 -52.54 33.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.312 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.694 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 33.5 m-20 -59.48 -49.78 76.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.848 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -60.91 -34.64 74.98 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.362 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.536 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -65.54 -37.87 87.98 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.62 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -64.56 -33.72 76.57 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.152 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.766 HD12 HD12 ' A' ' 55' ' ' LEU . 3.3 tp -61.6 -43.38 98.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.332 179.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.712 HD22 HD23 ' A' ' 19' ' ' LEU . 15.3 mt -64.19 -40.67 96.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.81 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -55.63 -32.84 63.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.936 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -84.94 -20.53 30.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.861 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.749 ' CD1' HD11 ' A' ' 55' ' ' LEU . 8.8 mp -85.51 -5.32 59.3 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.799 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 53.12 19.98 1.62 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.19 0.519 . . . . 0.0 110.321 -179.04 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 1.061 HD21 HD21 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -111.01 124.95 31.62 Favored Pre-proline 0 N--CA 1.448 -0.558 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.782 -179.15 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.44 ' HB2' HD12 ' A' ' 23' ' ' LEU . 71.2 Cg_exo -45.48 164.43 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.756 2.304 . . . . 0.0 113.698 -178.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.57 ' HA ' HD13 ' A' ' 14' ' ' LEU . 6.4 ptt85 -90.68 -15.52 30.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.973 179.111 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -65.34 -36.22 83.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.77 -179.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.061 HD21 HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -90.81 4.59 51.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.735 -179.435 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.544 ' CE3' HD11 ' A' ' 14' ' ' LEU . 62.9 t-105 -51.59 100.69 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.419 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 153.94 -36.37 0.72 Allowed Glycine 0 C--N 1.332 0.354 0 C-N-CA 120.523 -0.846 . . . . 0.0 113.281 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.451 ' O ' ' HG2' ' A' ' 30' ' ' MET . 5.4 t70 -83.75 96.16 8.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.728 0.264 . . . . 0.0 111.615 -179.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.858 ' CD1' HG11 ' A' ' 66' ' ' VAL . 3.0 t80 -42.71 -44.61 4.4 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.639 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.82 -41.73 91.3 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.913 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.3 mtm-85 -77.91 -51.71 10.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.692 0.282 . . . . 0.0 111.309 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.546 ' HA ' HD13 ' A' ' 19' ' ' LEU . 13.9 ptp -59.23 -40.96 87.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.93 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -67.68 -32.81 73.73 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.916 0.389 . . . . 0.0 110.208 179.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -34.34 71.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.004 179.122 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.604 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -78.43 -46.4 19.9 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.526 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.43 ' CE2' ' CB ' ' A' ' 59' ' ' TRP . 4.8 t80 -54.59 -47.9 72.78 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.341 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -61.44 -40.97 96.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.731 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -76.42 -23.22 53.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.02 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.529 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 1.4 mp0 -89.78 -22.86 21.93 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.904 0.383 . . . . 0.0 110.837 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 83.0 p -71.35 -29.18 64.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.877 0.37 . . . . 0.0 110.247 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.98 -32.57 74.13 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.093 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.8 pp -89.32 -16.86 30.1 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.703 0.287 . . . . 0.0 111.006 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.712 HD22 ' HB3' ' A' ' 51' ' ' LEU . 43.5 mt -94.33 0.93 55.88 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 120.87 0.367 . . . . 0.0 110.958 179.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.535 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 19.1 t-80 -88.48 142.43 31.2 Favored Pre-proline 0 CA--C 1.532 0.269 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.225 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.535 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 30.8 Cg_endo -64.94 -5.87 11.6 Favored 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 122.702 2.268 . . . . 0.0 113.638 -179.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -88.95 -21.58 23.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.767 0.318 . . . . 0.0 110.866 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -109.58 29.36 7.65 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.651 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.66 41.43 64.69 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.492 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -115.79 163.51 12.31 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.554 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.12 146.3 24.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.85 0.357 . . . . 0.0 110.999 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.407 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -78.62 -21.65 48.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.214 -179.469 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -74.32 -27.15 60.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.859 0.361 . . . . 0.0 111.12 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.712 ' HB3' HD22 ' A' ' 41' ' ' LEU . 1.9 mp -78.34 -51.22 10.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.933 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -40.29 71.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.342 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.428 ' HG3' ' N ' ' A' ' 54' ' ' GLU . 10.1 pt20 -74.23 -36.13 63.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.232 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -62.84 -50.75 69.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.909 0.385 . . . . 0.0 110.889 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.766 HD12 HD12 ' A' ' 13' ' ' LEU . 17.3 tp -62.57 -37.83 87.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.942 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.93 -37.28 79.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.774 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.11 -30.2 68.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.831 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.51 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 0.9 OUTLIER -86.01 -26.63 25.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.026 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.637 ' HB2' HD11 ' A' ' 13' ' ' LEU . 69.9 t-105 -90.13 -19.15 24.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.278 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.13 -62.66 2.56 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.918 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.591 ' CG2' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -54.46 -49.82 69.17 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 178.919 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.53 ' N ' ' CG2' ' A' ' 61' ' ' THR . 6.5 t80 -44.41 -54.26 6.06 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 113.497 -1.683 . . . . 0.0 109.111 177.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.585 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 1.4 ttmt -54.37 -44.66 72.41 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.311 -1.313 . . . . 0.0 110.745 178.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.44 ' HB ' ' O ' ' A' ' 61' ' ' THR . 87.3 m -49.91 -35.28 23.2 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 178.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -85.37 -30.12 23.89 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.694 178.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.933 ' HA ' HD23 ' A' ' 69' ' ' LEU . 58.1 t -55.71 -41.3 64.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.274 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -65.5 -40.1 92.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.258 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 27.8 p30 -87.35 -11.67 48.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.676 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.933 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -60.58 -38.29 84.14 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.923 0.392 . . . . 0.0 110.516 179.791 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 42.4 mtt85 -81.1 1.23 32.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.755 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.35 -39.95 3.74 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.815 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 -61.11 136.38 58.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.11 -66.75 1.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -130.63 -50.74 0.11 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.74 55.38 0.74 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.527 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.2 m -85.47 106.19 16.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.758 0.313 . . . . 0.0 110.857 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 136.19 -71.25 0.48 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.481 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -75.74 144.2 41.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.761 0.315 . . . . 0.0 110.916 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.795 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 120.759 0.314 . . . . 0.0 111.283 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -79.32 112.45 16.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.788 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -138.59 67.63 1.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.1 m -137.91 126.72 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.065 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.694 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.5 OUTLIER -85.17 140.77 30.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.75 179.835 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.6 p -88.9 -167.17 1.8 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.12 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.536 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 14.5 mtt-85 -60.62 -37.9 82.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.204 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.22 -52.54 33.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.312 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.694 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 33.5 m-20 -59.48 -49.78 76.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.848 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -60.91 -34.64 74.98 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.362 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.536 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -65.54 -37.87 87.98 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.62 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -64.56 -33.72 76.57 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.152 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.766 HD12 HD12 ' A' ' 55' ' ' LEU . 3.3 tp -61.6 -43.38 98.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.332 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.712 HD22 HD23 ' A' ' 19' ' ' LEU . 15.3 mt -64.19 -40.67 96.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.81 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -55.63 -32.84 63.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.936 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -84.94 -20.53 30.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.861 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.749 ' CD1' HD11 ' A' ' 55' ' ' LEU . 8.8 mp -85.51 -5.32 59.3 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.799 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 53.12 19.98 1.62 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.19 0.519 . . . . 0.0 110.321 -179.04 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 1.061 HD21 HD21 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -111.01 124.95 31.62 Favored Pre-proline 0 N--CA 1.448 -0.558 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.782 -179.15 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.44 ' HB2' HD12 ' A' ' 23' ' ' LEU . 71.2 Cg_exo -45.48 164.43 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.756 2.304 . . . . 0.0 113.698 -178.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.57 ' HA ' HD13 ' A' ' 14' ' ' LEU . 6.4 ptt85 -90.68 -15.52 30.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.973 179.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -65.34 -36.22 83.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.77 -179.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.061 HD21 HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -90.81 4.59 51.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.735 -179.435 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.544 ' CE3' HD11 ' A' ' 14' ' ' LEU . 62.9 t-105 -51.59 100.69 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.419 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 153.94 -36.37 0.72 Allowed Glycine 0 C--N 1.332 0.354 0 C-N-CA 120.523 -0.846 . . . . 0.0 113.281 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.451 ' O ' ' HG2' ' A' ' 30' ' ' MET . 5.4 t70 -83.75 96.16 8.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.728 0.264 . . . . 0.0 111.615 -179.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.858 ' CD1' HG11 ' A' ' 66' ' ' VAL . 3.0 t80 -42.71 -44.61 4.4 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.639 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.82 -41.73 91.3 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.913 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.3 mtm-85 -77.91 -51.71 10.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.692 0.282 . . . . 0.0 111.309 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.546 ' HA ' HD13 ' A' ' 19' ' ' LEU . 13.9 ptp -59.23 -40.96 87.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.93 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -67.68 -32.81 73.73 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.916 0.389 . . . . 0.0 110.208 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -34.34 71.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.004 179.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.604 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -78.43 -46.4 19.9 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.526 179.345 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.43 ' CE2' ' CB ' ' A' ' 59' ' ' TRP . 4.8 t80 -54.59 -47.9 72.78 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.341 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -61.44 -40.97 96.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.731 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -76.42 -23.22 53.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.02 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.529 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 1.4 mp0 -89.78 -22.86 21.93 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.904 0.383 . . . . 0.0 110.837 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 83.0 p -71.35 -29.18 64.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.877 0.37 . . . . 0.0 110.247 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.98 -32.57 74.13 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.093 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.8 pp -89.32 -16.86 30.1 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.703 0.287 . . . . 0.0 111.006 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.712 HD22 ' HB3' ' A' ' 51' ' ' LEU . 43.5 mt -94.33 0.93 55.88 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 120.87 0.367 . . . . 0.0 110.958 179.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.535 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 19.1 t-80 -88.48 142.43 31.2 Favored Pre-proline 0 CA--C 1.532 0.269 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.225 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.535 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 30.8 Cg_endo -64.94 -5.87 11.6 Favored 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 122.702 2.268 . . . . 0.0 113.638 -179.088 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -88.95 -21.58 23.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.767 0.318 . . . . 0.0 110.866 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -109.58 29.36 7.65 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.651 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.66 41.43 64.69 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.492 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -115.79 163.51 12.31 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.554 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.12 146.3 24.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.85 0.357 . . . . 0.0 110.999 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.407 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -78.62 -21.65 48.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.214 -179.469 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -74.32 -27.15 60.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.859 0.361 . . . . 0.0 111.12 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.712 ' HB3' HD22 ' A' ' 41' ' ' LEU . 1.9 mp -78.34 -51.22 10.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.933 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -40.29 71.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.342 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.428 ' HG3' ' N ' ' A' ' 54' ' ' GLU . 10.1 pt20 -74.23 -36.13 63.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.232 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -62.84 -50.75 69.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.909 0.385 . . . . 0.0 110.889 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.766 HD12 HD12 ' A' ' 13' ' ' LEU . 17.3 tp -62.57 -37.83 87.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.942 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.93 -37.28 79.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.774 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.11 -30.2 68.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.831 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.51 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 0.9 OUTLIER -86.01 -26.63 25.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.026 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.637 ' HB2' HD11 ' A' ' 13' ' ' LEU . 69.9 t-105 -90.13 -19.15 24.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.278 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.13 -62.66 2.56 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.918 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.591 ' CG2' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -54.46 -49.82 69.17 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 178.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.53 ' N ' ' CG2' ' A' ' 61' ' ' THR . 6.5 t80 -44.41 -54.26 6.06 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 113.497 -1.683 . . . . 0.0 109.111 177.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.585 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 1.4 ttmt -54.37 -44.66 72.41 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.311 -1.313 . . . . 0.0 110.745 178.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.44 ' HB ' ' O ' ' A' ' 61' ' ' THR . 87.3 m -49.91 -35.28 23.2 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 178.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -85.37 -30.12 23.89 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.694 178.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.933 ' HA ' HD23 ' A' ' 69' ' ' LEU . 58.1 t -55.71 -41.3 64.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.274 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -65.5 -40.1 92.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.258 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 27.8 p30 -87.35 -11.67 48.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.676 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.933 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -60.58 -38.29 84.14 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.923 0.392 . . . . 0.0 110.516 179.791 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 42.4 mtt85 -81.1 1.23 32.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.755 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.35 -39.95 3.74 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.815 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 -61.11 136.38 58.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.11 -66.75 1.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -130.63 -50.74 0.11 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.74 55.38 0.74 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.527 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.2 m -85.47 106.19 16.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.758 0.313 . . . . 0.0 110.857 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 136.19 -71.25 0.48 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.481 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -75.74 144.2 41.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.761 0.315 . . . . 0.0 110.916 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.795 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 120.577 0.227 . . . . 0.0 110.76 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -62.5 123.18 17.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.801 0.334 . . . . 0.0 110.475 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.2 mmt85 -129.32 74.56 1.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.277 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 29.3 m -119.24 133.36 66.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.057 0.456 . . . . 0.0 110.883 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.848 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.1 pt? -90.05 147.23 23.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.125 -179.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.3 p -90.11 -172.79 3.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.598 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.418 ' HG2' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -59.28 -31.27 68.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.151 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.418 ' N ' ' HG2' ' A' ' 7' ' ' ARG . . . -71.5 -37.76 71.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.273 -179.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.848 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 92.8 m-20 -66.63 -59.35 3.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.187 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.63 ' N ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -59.55 -38.4 80.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.913 0.387 . . . . 0.0 110.256 -179.896 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 4.7 tt0 -64.02 -40.82 97.18 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.976 178.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -39.25 80.35 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.363 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.67 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.9 tp -63.16 -33.47 75.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.297 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.879 HD22 ' O ' ' A' ' 19' ' ' LEU . 12.7 mt -69.31 -38.84 78.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.067 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 75.6 mm-40 -55.59 -46.44 77.28 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.004 0.431 . . . . 0.0 110.542 179.634 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.484 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 5.0 mt -76.12 -15.96 59.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.929 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.67 HD23 ' O ' ' A' ' 13' ' ' LEU . 2.0 mm? -90.36 -9.55 47.27 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.39 20.25 1.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.319 0.581 . . . . 0.0 110.001 -178.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.879 ' O ' HD22 ' A' ' 14' ' ' LEU . 3.3 tt -110.49 110.61 57.75 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.947 -179.067 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.423 ' O ' HD13 ' A' ' 23' ' ' LEU . 88.8 Cg_exo -46.38 167.05 0.07 OUTLIER 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.689 2.259 . . . . 0.0 113.313 -178.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.58 ' HG3' HD13 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -89.97 -3.34 58.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.101 179.393 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -78.1 -33.28 50.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.036 0.446 . . . . 0.0 110.995 -179.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.758 ' CD2' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -102.69 11.7 37.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.267 179.903 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.613 ' HE3' HD21 ' A' ' 14' ' ' LEU . 43.9 t-105 -55.68 92.5 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.085 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 167.25 -31.73 0.19 Allowed Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.524 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -73.76 94.91 2.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.697 0.284 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.6 ' CE1' HG11 ' A' ' 66' ' ' VAL . 71.1 t80 -52.56 -31.43 35.85 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.536 -179.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.15 -38.23 82.72 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.774 -0.727 . . . . 0.0 113.275 -179.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 60.1 mtt-85 -80.3 -37.17 33.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.745 0.272 . . . . 0.0 111.718 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.766 ' HA ' HD13 ' A' ' 19' ' ' LEU . 10.3 ptp -65.11 -47.61 76.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.584 0.231 . . . . 0.0 110.814 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.43 ' N ' ' HG3' ' A' ' 30' ' ' MET . 24.1 tt0 -63.13 -38.35 90.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.896 0.379 . . . . 0.0 110.734 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -58.98 -31.91 69.18 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.378 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.517 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -82.6 -40.28 21.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.836 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.446 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 12.6 t80 -57.07 -48.83 77.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.605 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 35.2 mtpt -64.86 -40.56 95.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.817 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -60.52 -48.46 81.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.747 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.565 ' HA ' HD21 ' A' ' 40' ' ' LEU . 28.9 mm100 -79.78 -18.14 51.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.142 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.1 -29.99 68.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.994 0.426 . . . . 0.0 110.0 179.12 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.35 -41.39 80.76 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.752 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.565 HD21 ' HA ' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -79.64 -10.56 59.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.124 179.835 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.461 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 7.5 mt -95.31 -1.71 50.78 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 120.651 0.263 . . . . 0.0 111.355 179.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.575 ' HD2' ' HB2' ' A' ' 44' ' ' ASP . 20.5 t60 -79.91 142.21 55.97 Favored Pre-proline 0 CA--C 1.53 0.195 0 CA-C-N 116.543 -0.298 . . . . 0.0 110.507 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 18.2 Cg_endo -61.95 -12.36 25.63 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.753 2.302 . . . . 0.0 113.932 -178.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.575 ' HB2' ' HD2' ' A' ' 42' ' ' HIS . 1.3 m-20 -88.46 -23.07 23.36 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.992 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.424 ' HD3' ' HB3' ' A' ' 42' ' ' HIS . 3.0 mptp? -103.71 27.65 7.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.771 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 75.66 26.73 64.51 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.654 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -89.32 160.43 29.35 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.375 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.04 156.25 18.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.747 0.308 . . . . 0.0 110.862 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.442 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 12.2 m170 -83.12 -40.67 19.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.959 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.95 -28.56 67.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.242 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.461 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 7.5 mt -75.05 -51.51 13.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.057 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.52 ' O ' ' HB2' ' A' ' 56' ' ' ASN . 8.3 tpt -50.77 -27.69 7.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.376 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 4.2 mm-40 -83.03 -36.53 24.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.799 0.333 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -58.93 -54.81 42.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.067 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.612 HD12 HD12 ' A' ' 13' ' ' LEU . 16.1 tp -65.8 -38.9 90.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.182 -179.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.52 ' HB2' ' O ' ' A' ' 52' ' ' MET . 1.9 t-20 -63.6 -44.88 92.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.911 0.386 . . . . 0.0 110.812 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.84 -27.64 66.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.739 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.561 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 10.9 mt -80.82 -28.48 36.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.087 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.552 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 69.5 t-105 -87.03 -24.24 24.7 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.434 ' HA2' ' NZ ' ' A' ' 63' ' ' LYS . . . -69.91 -64.85 2.75 Favored Glycine 0 C--N 1.334 0.437 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.287 179.162 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.626 HG23 HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -52.18 -46.58 65.59 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 179.169 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.528 ' HB2' ' O ' ' A' ' 58' ' ' LEU . 2.7 t80 -49.88 -51.98 36.34 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 113.195 -1.821 . . . . 0.0 109.4 177.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.585 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 0.3 OUTLIER -52.08 -41.01 62.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.3 -1.318 . . . . 0.0 110.988 179.636 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 61' ' ' THR . 85.6 m -50.45 -37.71 39.67 Favored 'General case' 0 CA--C 1.522 -0.126 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -84.08 -31.27 25.41 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.391 178.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.678 ' HA ' HD23 ' A' ' 69' ' ' LEU . 53.9 t -52.63 -48.89 47.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.573 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -53.82 -27.04 27.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.964 0.411 . . . . 0.0 110.258 179.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -90.96 -26.86 19.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.189 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.688 ' C ' HD12 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -72.81 -10.38 59.74 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.436 -179.698 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.453 ' HG2' ' O ' ' A' ' 66' ' ' VAL . 5.4 mmt85 -68.51 0.91 3.5 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.941 0.401 . . . . 0.0 112.02 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.3 mtt -111.87 -47.72 3.12 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.817 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -77.41 139.28 39.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.988 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.08 23.73 7.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.992 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 143.72 168.76 12.4 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.474 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -157.78 -141.29 3.12 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.726 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.1 m -68.11 151.19 47.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 111.136 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -134.9 -57.56 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.424 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.43 147.7 41.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.841 0.353 . . . . 0.0 110.753 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.108 -179.882 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 120.764 0.316 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.43 163.46 2.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.517 179.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.493 ' HB3' ' OG1' ' A' ' 61' ' ' THR . 0.1 OUTLIER -145.65 90.85 2.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.867 0.365 . . . . 0.0 111.155 -179.623 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 24.9 m -125.97 127.82 71.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.171 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.836 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.1 pt? -90.24 144.31 25.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.113 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.0 p -89.33 -174.66 4.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.071 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -56.94 -36.75 70.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.182 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.0 -37.81 88.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.836 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 26.0 m-20 -69.15 -58.1 4.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.561 ' N ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -57.92 -39.74 78.71 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.764 0.316 . . . . 0.0 110.574 -179.656 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.443 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 2.0 mm-40 -61.55 -42.22 98.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.383 179.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.578 ' HE ' HD21 ' A' ' 16' ' ' LEU . 11.5 tpt180 -70.37 -29.08 65.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.252 179.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.653 ' O ' HD23 ' A' ' 17' ' ' LEU . 4.1 tp -69.7 -34.01 73.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.073 179.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.812 HD22 ' O ' ' A' ' 19' ' ' LEU . 15.4 mt -74.78 -41.4 60.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.828 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -56.14 -37.64 69.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.692 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.578 HD21 ' HE ' ' A' ' 12' ' ' ARG . 3.4 mm? -85.63 -19.27 31.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.527 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.653 HD23 ' O ' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -88.03 -8.04 56.16 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.711 -179.63 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.8 mptt 54.15 19.7 2.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.245 0.545 . . . . 0.0 110.07 -178.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.812 ' O ' HD22 ' A' ' 14' ' ' LEU . 3.4 tt -108.96 108.83 60.91 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.879 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.404 ' O ' HD13 ' A' ' 23' ' ' LEU . 77.6 Cg_exo -49.43 169.69 0.11 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.692 2.261 . . . . 0.0 113.188 -178.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -89.64 -3.38 58.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.858 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -76.31 -32.03 58.49 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.714 HD21 ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -107.83 14.64 25.25 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.107 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.639 ' HE3' HD21 ' A' ' 14' ' ' LEU . 46.6 t-105 -57.6 97.75 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.013 179.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 159.03 -26.01 0.36 Allowed Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.51 -0.853 . . . . 0.0 112.985 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -79.57 100.63 7.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.731 0.3 . . . . 0.0 111.03 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.728 ' CE1' HG11 ' A' ' 66' ' ' VAL . 28.4 t80 -52.98 -42.96 66.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.619 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.15 -32.31 71.22 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.849 -0.691 . . . . 0.0 113.268 -179.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 29' ' ' ARG . 20.4 mtt180 -83.06 -47.03 12.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.776 0.288 . . . . 0.0 111.724 -179.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.631 ' HA ' HD13 ' A' ' 19' ' ' LEU . 13.4 ptp -58.96 -40.35 84.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.626 0.251 . . . . 0.0 110.886 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -71.27 -36.41 71.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.795 0.331 . . . . 0.0 110.325 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -63.36 -34.4 77.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.246 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.516 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -81.19 -39.62 25.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.685 179.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.445 ' CE2' ' CB ' ' A' ' 59' ' ' TRP . 13.6 t80 -53.73 -44.3 69.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.527 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -72.32 -38.45 68.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.398 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -37.6 81.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.709 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 -88.8 -20.27 24.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.6 m -68.0 -29.52 68.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.708 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.1 mt -72.32 -33.68 67.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.983 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.601 HD12 ' HG ' ' A' ' 41' ' ' LEU . 2.9 pp -85.44 -17.04 37.75 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.958 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.601 ' HG ' HD12 ' A' ' 40' ' ' LEU . 32.8 mt -95.18 -4.23 46.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.252 179.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -79.39 123.72 84.36 Favored Pre-proline 0 N--CA 1.455 -0.187 0 CA-C-O 120.746 0.307 . . . . 0.0 110.448 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo -43.74 -27.6 1.61 Allowed 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.972 2.448 . . . . 0.0 113.551 -179.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.99 -12.18 60.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.627 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt -118.43 28.86 8.08 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.805 0.336 . . . . 0.0 110.866 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.85 16.58 79.3 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.809 -0.71 . . . . 0.0 113.01 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -87.11 163.29 34.41 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.385 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.556 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -87.58 152.79 21.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.904 0.383 . . . . 0.0 110.744 -179.859 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -78.97 -41.96 27.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.821 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.403 ' HA ' ' HG2' ' A' ' 53' ' ' GLN . . . -58.02 -34.61 70.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.571 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.587 ' HB3' HD22 ' A' ' 41' ' ' LEU . 4.0 mp -71.87 -53.25 13.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.925 0.393 . . . . 0.0 111.04 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 10.4 tpt -56.3 -45.74 80.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.415 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.403 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 4.0 pt20 -67.31 -26.85 66.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.71 0.291 . . . . 0.0 111.216 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.91 -54.48 21.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.369 . . . . 0.0 110.75 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.44 HD11 HD23 ' A' ' 17' ' ' LEU . 8.3 tp -56.7 -40.2 75.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.991 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -58.09 -33.04 68.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.798 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.69 -31.32 41.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.788 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.601 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 14.6 mt -80.89 -29.67 35.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.779 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.59 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 70.3 t-105 -88.8 -20.88 24.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.01 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.411 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -73.15 -64.12 2.62 Favored Glycine 0 C--N 1.335 0.479 0 C-N-CA 121.041 -0.599 . . . . 0.0 111.892 179.214 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.578 HG21 ' HB3' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -53.39 -50.9 64.16 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 179.001 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.532 ' N ' ' CG2' ' A' ' 61' ' ' THR . 4.7 t80 -45.32 -49.62 12.66 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 113.407 -1.724 . . . . 0.0 109.738 177.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.59 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 1.9 ttmt -55.2 -36.03 65.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.363 -1.29 . . . . 0.0 111.066 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 41.0 m -47.45 -39.4 15.66 Favored 'General case' 0 CA--C 1.522 -0.107 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -85.25 -30.63 23.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.955 178.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.93 ' HA ' HD23 ' A' ' 69' ' ' LEU . 69.1 t -55.49 -41.82 65.08 Favored 'Isoleucine or valine' 0 C--O 1.23 0.066 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.151 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -63.34 -30.51 71.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.438 179.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -90.76 -21.76 21.38 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.485 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.93 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -59.36 -29.94 68.04 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.845 0.355 . . . . 0.0 110.858 -179.525 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.8 mtm105 -76.8 0.68 19.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.009 0.433 . . . . 0.0 111.677 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 30.3 mmt -115.98 -17.49 10.92 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.213 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -76.18 56.32 1.02 Allowed 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.854 0.359 . . . . 0.0 111.007 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 43.5 mt -93.06 87.98 5.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.788 0.327 . . . . 0.0 110.907 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -68.05 101.71 0.77 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.435 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 179.64 72.62 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.573 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 29.8 p -68.5 129.74 40.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.766 0.317 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.66 -87.54 0.53 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.457 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -92.18 116.23 28.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.717 0.294 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.755 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.1 mtm . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 120.878 0.37 . . . . 0.0 111.258 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -78.67 125.71 29.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 3' ' ' ARG . 3.2 mtm180 -137.91 82.7 1.93 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.742 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.4 m -133.06 126.51 53.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.217 0.532 . . . . 0.0 111.418 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.824 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.6 pt? -87.8 150.66 23.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.861 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.6 p -90.18 -174.67 4.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.22 -179.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -57.46 -33.95 68.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.955 179.862 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.23 -46.81 72.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.526 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.824 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 50.1 m-20 -58.12 -59.38 5.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.015 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.559 ' N ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -52.2 -39.85 60.72 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.09 0.472 . . . . 0.0 110.112 179.813 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.434 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 2.3 mt-10 -65.13 -38.95 92.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.579 178.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.414 ' CD ' HD11 ' A' ' 58' ' ' LEU . 1.3 ttt-85 -70.76 -31.21 67.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.6 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.685 ' O ' HD23 ' A' ' 17' ' ' LEU . 3.6 tp -72.98 -31.26 64.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.531 179.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.839 HD22 ' O ' ' A' ' 19' ' ' LEU . 11.7 mt -74.79 -41.33 60.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.299 -179.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -61.7 -38.85 89.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 mt -82.02 -18.6 42.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.276 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.685 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.9 mm? -88.9 -5.3 58.09 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.0 18.52 2.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.232 0.539 . . . . 0.0 110.253 -178.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.839 ' O ' HD22 ' A' ' 14' ' ' LEU . 1.8 tt -106.11 110.79 64.3 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.285 -179.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.55 ' N ' HD21 ' A' ' 23' ' ' LEU . 46.1 Cg_exo -46.7 -176.4 0.0 OUTLIER 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.987 2.458 . . . . 0.0 112.892 -179.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -90.5 -35.02 15.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.996 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -51.91 -33.97 39.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.585 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.67 HD23 ' H ' ' A' ' 23' ' ' LEU . 1.4 pt? -102.19 12.94 35.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.194 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.688 ' HE3' HD21 ' A' ' 14' ' ' LEU . 46.7 t-105 -53.65 92.63 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.786 0.327 . . . . 0.0 110.773 179.617 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 144.91 -23.93 1.94 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.43 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.412 ' O ' ' HG2' ' A' ' 30' ' ' MET . 27.0 t0 -57.28 97.51 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.691 0.282 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.43 ' HA ' ' SD ' ' A' ' 30' ' ' MET . 15.9 t80 -56.11 -46.56 79.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.741 -179.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.31 -38.68 96.82 Favored Glycine 0 CA--C 1.52 0.372 0 C-N-CA 120.826 -0.702 . . . . 0.0 113.324 -179.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.17 -38.76 26.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.89 0.345 . . . . 0.0 111.919 -179.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.43 ' SD ' ' HA ' ' A' ' 27' ' ' PHE . 7.0 ptp -64.73 -47.28 78.84 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 121.044 -0.263 . . . . 0.0 111.02 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -62.27 -42.37 99.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.766 0.317 . . . . 0.0 110.395 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.9 -38.43 75.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.051 0.453 . . . . 0.0 110.159 179.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.59 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -74.51 -44.61 50.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.138 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.549 ' HB2' HD11 ' A' ' 17' ' ' LEU . 7.8 t80 -55.38 -45.72 76.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.297 179.351 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.407 ' HA ' ' OG ' ' A' ' 38' ' ' SER . 7.9 mtpm? -65.15 -28.64 69.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.877 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -46.59 44.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.234 -179.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.433 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 4.7 mm-40 -82.04 -21.58 36.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.543 -179.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.488 ' HA ' ' HE1' ' A' ' 52' ' ' MET . 91.9 p -73.6 -29.46 62.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.884 0.373 . . . . 0.0 110.762 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.2 mt -74.09 -36.14 64.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.066 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.433 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 3.7 pp -84.87 -14.95 46.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.11 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.614 HD22 ' HB3' ' A' ' 51' ' ' LEU . 15.1 mt -94.49 13.92 22.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.748 0.308 . . . . 0.0 110.964 179.42 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.459 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 18.0 t-80 -90.03 137.71 27.93 Favored Pre-proline 0 N--CA 1.454 -0.256 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.927 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -47.81 -24.76 5.24 Favored 'Trans proline' 0 CA--C 1.529 0.242 0 C-N-CA 122.829 2.353 . . . . 0.0 112.778 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -88.0 -25.02 23.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.64 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.459 ' HD3' ' HB3' ' A' ' 42' ' ' HIS . 1.7 mptp? -103.76 31.16 4.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.803 0.335 . . . . 0.0 111.078 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.8 46.72 65.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.467 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -116.1 159.08 14.05 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.486 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.563 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -90.22 161.22 15.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.864 0.364 . . . . 0.0 110.889 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -83.03 -48.66 10.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.768 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.96 -26.67 64.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.189 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.614 ' HB3' HD22 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -81.44 -52.74 6.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.025 -179.918 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.488 ' HE1' ' HA ' ' A' ' 38' ' ' SER . 8.0 tpt -51.19 -43.57 61.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.907 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.66 -33.51 72.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.532 179.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -64.45 -50.84 65.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.553 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.48 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 11.7 tp -66.56 -38.2 86.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.523 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -64.4 -50.16 68.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.008 0.432 . . . . 0.0 110.514 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 m -67.57 -27.15 66.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.686 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.615 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 14.1 mt -78.5 -26.91 46.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.541 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 66.5 t-105 -90.4 -27.42 19.33 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.0 -61.53 3.71 Favored Glycine 0 C--N 1.335 0.483 0 C-N-CA 120.977 -0.63 . . . . 0.0 111.771 179.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.635 HG23 HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -51.43 -50.5 59.59 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 178.721 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.561 ' N ' ' CG2' ' A' ' 61' ' ' THR . 1.3 t80 -45.65 -53.07 9.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 113.245 -1.798 . . . . 0.0 109.066 177.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.584 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -57.31 -38.61 74.3 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 113.921 -1.49 . . . . 0.0 110.961 179.468 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.96 -36.4 27.93 Favored 'General case' 0 CA--C 1.522 -0.123 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 178.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 69' ' ' LEU . 2.2 mm-40 -85.39 -29.27 24.56 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.373 178.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.938 ' HA ' HD23 ' A' ' 69' ' ' LEU . 54.0 t -58.17 -54.78 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.86 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -55.45 -30.6 60.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.698 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -90.61 -20.95 21.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.588 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.938 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -60.83 -30.89 70.37 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.818 0.342 . . . . 0.0 110.729 -179.42 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -82.78 1.2 40.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.77 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.7 mmt -121.42 -52.76 2.03 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.862 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -61.32 132.15 52.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.743 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -142.0 -52.01 0.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.954 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.58 35.61 0.68 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.399 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 149.06 -92.79 0.15 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.593 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.6 p -89.62 127.63 35.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.744 0.307 . . . . 0.0 111.061 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -103.44 -42.8 1.96 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.57 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -81.19 140.81 34.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.797 0.332 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.145 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.5 mtt . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 120.801 0.334 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.5 117.25 7.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.763 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.8 mmt180 -131.82 67.93 1.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.538 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 19.8 m -138.05 119.68 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.368 0.604 . . . . 0.0 111.021 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.811 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER -82.1 145.06 30.36 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.602 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.9 p -90.05 -174.96 4.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.866 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.7 ttm-85 -60.43 -28.93 68.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.82 -27.33 57.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.677 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.811 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 5.1 m-20 -88.87 -47.98 7.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.749 -0.205 . . . . 0.0 111.257 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.482 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -59.35 -34.74 72.75 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.939 0.399 . . . . 0.0 110.294 179.71 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.431 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 19.5 pt-20 -69.65 -32.82 71.71 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.0 ttt85 -63.37 -31.81 73.06 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.828 178.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.615 ' O ' HD23 ' A' ' 17' ' ' LEU . 1.7 tp -69.85 -32.9 71.53 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.734 178.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.826 HD22 ' O ' ' A' ' 19' ' ' LEU . 12.4 mt -67.56 -43.87 79.61 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.823 179.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -54.49 -54.07 45.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.758 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.45 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 7.3 mp -68.52 -16.68 63.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.911 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.657 ' CD2' HD11 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -90.14 -2.73 58.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.987 -179.452 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 48.98 21.25 0.44 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.285 0.564 . . . . 0.0 110.055 -178.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.826 ' O ' HD22 ' A' ' 14' ' ' LEU . 5.1 tt -111.82 110.05 54.86 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.605 -179.084 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.463 ' O ' HD13 ' A' ' 23' ' ' LEU . 79.8 Cg_exo -48.37 167.4 0.11 Allowed 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.519 2.146 . . . . 0.0 113.261 -178.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.28 -6.37 56.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.973 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -74.16 -34.51 63.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.128 0.489 . . . . 0.0 110.897 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.71 HD21 ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -101.93 12.96 36.1 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.562 -179.77 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.673 ' HE3' HD21 ' A' ' 14' ' ' LEU . 57.1 t-105 -52.08 109.6 0.39 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.478 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 143.31 -21.19 2.25 Favored Glycine 0 C--N 1.334 0.467 0 C-N-CA 120.873 -0.68 . . . . 0.0 113.254 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.503 ' O ' ' HG2' ' A' ' 30' ' ' MET . 13.1 t0 -78.77 92.28 4.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.645 0.26 . . . . 0.0 111.291 -179.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.749 ' CD1' HG11 ' A' ' 66' ' ' VAL . 14.5 t80 -48.53 -43.8 35.73 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.927 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.08 -33.59 87.64 Favored Glycine 0 CA--C 1.517 0.211 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.825 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.478 ' CZ ' ' HG ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -73.68 -49.97 23.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.731 0.301 . . . . 0.0 111.179 -179.819 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.607 ' HA ' HD13 ' A' ' 19' ' ' LEU . 12.5 ptp -60.77 -46.66 89.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.663 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -59.4 -42.1 90.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.799 0.333 . . . . 0.0 110.45 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.81 -41.6 82.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.567 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.434 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -76.67 -42.98 39.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.726 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.561 ' HB2' HD11 ' A' ' 17' ' ' LEU . 7.4 t80 -53.24 -45.61 68.82 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.194 179.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.436 ' HA ' ' OG ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -66.14 -33.66 76.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.774 179.815 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -67.51 -52.22 41.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.259 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.45 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 7.4 mm100 -74.89 -21.32 59.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.619 -179.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.436 ' OG ' ' HA ' ' A' ' 35' ' ' LYS . 80.8 p -71.69 -26.86 62.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.649 179.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.482 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 6.0 mt -79.21 -30.45 43.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.199 -179.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.554 HD12 ' HG ' ' A' ' 41' ' ' LEU . 3.8 pp -85.32 -17.07 37.94 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.114 -0.234 . . . . 0.0 111.359 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.608 HD21 HD22 ' A' ' 51' ' ' LEU . 14.3 mt -95.42 1.92 54.34 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.419 ' HD2' ' H ' ' A' ' 44' ' ' ASP . 9.1 t60 -80.45 134.4 54.84 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 120.765 0.317 . . . . 0.0 110.338 179.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -46.69 -19.54 0.77 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.92 2.413 . . . . 0.0 113.344 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.419 ' H ' ' HD2' ' A' ' 42' ' ' HIS . 4.5 m-20 -81.76 -21.94 37.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.702 0.286 . . . . 0.0 111.264 -179.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.482 ' HG3' ' O ' ' A' ' 39' ' ' LEU . 10.8 mmtt -116.57 31.1 6.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.814 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.0 88.16 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.636 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -158.13 164.8 33.51 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.503 -0.856 . . . . 0.0 112.59 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.06 148.23 23.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.868 0.366 . . . . 0.0 110.669 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.74 -42.38 41.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.664 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.53 -29.04 49.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.533 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.608 HD22 HD21 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -77.11 -50.79 12.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.062 -179.803 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 7.0 tpt -57.67 -26.83 62.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.964 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -79.98 -34.42 38.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.708 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.474 ' HG2' HD11 ' A' ' 58' ' ' LEU . 2.3 tt0 -69.39 -50.42 46.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.657 HD11 ' CD2' ' A' ' 17' ' ' LEU . 8.8 tp -57.93 -49.0 78.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.091 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -61.49 -35.66 78.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.834 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.33 -40.83 50.34 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.489 HD23 HD23 ' A' ' 5' ' ' LEU . 5.7 mt -76.34 -24.0 54.25 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.748 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.601 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 62.3 t-105 -90.24 -18.04 26.38 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.16 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.409 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -78.31 -61.59 2.46 Favored Glycine 0 C--N 1.336 0.582 0 C-N-CA 121.008 -0.615 . . . . 0.0 111.88 179.167 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.581 HG21 ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -55.71 -51.18 68.21 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 107.313 -1.366 . . . . 0.0 107.313 179.174 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.549 ' N ' ' CG2' ' A' ' 61' ' ' THR . 2.6 t80 -42.76 -54.8 3.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 113.805 -1.543 . . . . 0.0 109.303 177.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.601 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 1.1 ttmt -51.6 -44.12 62.75 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.03 -1.441 . . . . 0.0 111.584 179.333 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 68.7 m -47.31 -37.54 11.05 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-O 121.355 0.598 . . . . 0.0 109.701 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -85.44 -31.57 22.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.34 178.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.879 ' HA ' HD23 ' A' ' 69' ' ' LEU . 73.1 t -54.79 -48.67 73.02 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.118 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.999 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -55.28 -31.23 61.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.061 0.457 . . . . 0.0 110.29 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -91.07 -22.59 20.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.503 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.879 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -61.9 -32.31 72.68 Favored 'General case' 0 N--CA 1.461 0.076 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.654 -178.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.0 mpp_? -72.26 1.24 8.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.075 0.464 . . . . 0.0 111.887 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.43 -37.1 3.09 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.725 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -94.83 39.79 1.1 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.53 HD12 ' CD1' ' A' ' 69' ' ' LEU . 3.0 mt -136.29 -73.48 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.017 0.437 . . . . 0.0 110.616 179.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -144.43 131.89 4.56 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.515 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -142.84 -36.39 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.369 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 43.4 p -73.75 141.41 46.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.697 0.284 . . . . 0.0 111.11 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -124.04 -48.25 0.23 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.306 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -98.78 118.46 35.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.93 0.395 . . . . 0.0 110.718 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.084 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.8 ttp . . . . . 0 N--CA 1.488 1.439 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.47 128.52 35.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.809 0.338 . . . . 0.0 110.786 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.482 ' C ' ' HG1' ' A' ' 61' ' ' THR . 0.7 OUTLIER -95.66 92.24 6.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.597 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.4 m -126.73 125.29 66.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.886 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.787 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.0 pt? -87.51 149.89 24.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.992 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.0 p -86.58 -174.53 5.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.498 -178.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.456 ' HG3' ' N ' ' A' ' 8' ' ' ALA . 18.1 ptt85 -58.33 -34.83 71.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.839 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.456 ' N ' ' HG3' ' A' ' 7' ' ' ARG . . . -65.99 -41.27 91.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.037 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.787 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -71.84 -53.41 13.35 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 120.834 0.35 . . . . 0.0 111.123 -179.805 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.518 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -62.28 -35.19 78.23 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.932 -179.184 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -65.62 -40.03 92.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.42 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.74 -31.25 70.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.004 179.265 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.726 ' O ' HD23 ' A' ' 17' ' ' LEU . 3.4 tp -65.74 -29.45 69.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.122 179.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.927 HD22 ' O ' ' A' ' 19' ' ' LEU . 13.1 mt -76.06 -38.05 57.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.986 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.04 -52.0 64.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.842 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.685 HD22 HD11 ' A' ' 41' ' ' LEU . 1.3 mt -74.63 -12.11 60.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.14 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.726 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.1 mm? -90.31 -10.0 45.76 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.418 ' HD2' ' NE2' ' A' ' 37' ' ' GLN . 0.0 OUTLIER 54.44 19.69 2.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.29 0.567 . . . . 0.0 110.173 -178.729 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.927 ' O ' HD22 ' A' ' 14' ' ' LEU . 2.6 tt -110.98 109.38 57.32 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.067 -179.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.426 ' O ' HD13 ' A' ' 23' ' ' LEU . 75.6 Cg_exo -47.04 168.3 0.06 OUTLIER 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.731 2.287 . . . . 0.0 113.365 -178.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -90.41 -3.39 57.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.115 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -78.27 -32.57 49.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.093 0.473 . . . . 0.0 110.791 -179.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.733 ' CD2' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -103.2 11.66 36.66 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.985 179.7 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.553 ' HE3' HD21 ' A' ' 14' ' ' LEU . 46.3 t-105 -56.02 104.27 0.13 Allowed 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.06 179.474 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.41 -29.67 0.7 Allowed Glycine 0 C--N 1.33 0.227 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.309 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.487 ' HB3' ' HB2' ' A' ' 29' ' ' ARG . 5.4 t0 -77.16 87.37 3.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.742 0.306 . . . . 0.0 110.957 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.672 ' CE1' HG11 ' A' ' 66' ' ' VAL . 50.1 t80 -45.49 -46.77 13.95 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.517 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.02 -32.46 62.66 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.755 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.487 ' HB2' ' HB3' ' A' ' 26' ' ' ASP . 5.5 ttt180 -78.59 -55.49 5.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.712 0.291 . . . . 0.0 111.079 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.805 ' HA ' HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -58.02 -49.57 76.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.137 -179.809 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -56.35 -42.64 78.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.718 0.294 . . . . 0.0 110.783 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 -57.13 -39.9 76.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.318 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.03 -38.94 63.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.561 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.524 ' CE2' ' CB ' ' A' ' 59' ' ' TRP . 25.4 t80 -50.76 -45.69 59.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.846 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.406 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 0.4 OUTLIER -72.51 -36.38 68.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.722 179.754 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -67.16 -35.95 80.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.016 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 23.9 mm100 -89.58 -21.65 22.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.231 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.3 m -69.12 -32.42 71.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.883 0.373 . . . . 0.0 110.609 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 35' ' ' LYS . 94.0 mt -70.62 -37.28 73.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.192 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.417 HD21 ' HA ' ' A' ' 37' ' ' GLN . 2.7 pp -78.92 -12.06 60.02 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.132 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.685 HD11 HD22 ' A' ' 16' ' ' LEU . 24.2 mt -93.37 1.66 56.83 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.675 -0.239 . . . . 0.0 110.913 179.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.47 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 17.9 t-80 -89.97 141.48 28.1 Favored Pre-proline 0 C--N 1.333 -0.139 0 CA-C-O 120.764 0.316 . . . . 0.0 110.785 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 82.4 Cg_exo -45.4 -28.62 4.07 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 123.082 2.521 . . . . 0.0 113.6 -179.57 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.56 -19.75 55.18 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.0 mmtt -119.45 31.01 6.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.786 0.327 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 65.68 76.27 0.35 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.482 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -141.1 157.78 26.12 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.598 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.792 ' CB ' HD13 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -89.91 165.84 13.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.836 0.351 . . . . 0.0 110.91 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.407 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 23.0 t-80 -81.27 -51.27 8.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.785 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.94 -27.18 68.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.45 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.792 HD13 ' CB ' ' A' ' 48' ' ' SER . 7.1 mp -65.18 -51.8 58.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.177 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -26.26 67.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.367 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 20.2 mm-40 -78.97 -30.55 44.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.75 0.309 . . . . 0.0 111.1 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -71.72 -50.21 32.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.161 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.533 HD11 HD21 ' A' ' 17' ' ' LEU . 13.1 tp -65.18 -40.34 94.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.218 -179.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -62.11 -39.55 92.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.77 0.319 . . . . 0.0 110.685 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.89 -36.58 64.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.731 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.623 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 53.0 mt -72.62 -24.62 61.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.242 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.601 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 66.3 t-105 -90.27 -19.9 23.57 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.33 -58.98 2.99 Favored Glycine 0 C--N 1.334 0.435 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.517 179.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.707 HG21 ' HB3' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -55.29 -50.18 70.22 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 107.254 -1.387 . . . . 0.0 107.254 178.653 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.755 ' O ' ' HG3' ' A' ' 65' ' ' GLU . 0.9 OUTLIER -45.77 -54.3 8.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 113.411 -1.722 . . . . 0.0 109.012 177.875 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.601 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 1.2 mtmt -58.1 -39.04 77.62 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.841 -1.072 . . . . 0.0 111.026 179.239 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.45 ' HB ' ' O ' ' A' ' 61' ' ' THR . 59.2 m -51.48 -40.03 58.68 Favored 'General case' 0 CA--C 1.521 -0.168 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.181 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.755 ' HG3' ' O ' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -85.14 -24.45 27.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.996 178.38 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.986 ' HA ' HD23 ' A' ' 69' ' ' LEU . 36.7 t -55.73 -44.87 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.087 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.593 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.97 -25.1 68.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.929 0.395 . . . . 0.0 110.361 179.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -90.83 -24.32 20.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.095 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.986 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.7 OUTLIER -62.93 -20.27 65.05 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 120.738 0.304 . . . . 0.0 110.889 -179.913 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 70' ' ' ARG . 5.8 mpt_? -79.62 1.36 26.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.019 0.437 . . . . 0.0 111.972 179.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 42.2 mtp -103.46 -25.89 13.07 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.996 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -87.63 -4.15 58.95 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.378 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.89 87.63 7.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.961 0.41 . . . . 0.0 110.722 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -163.62 126.64 1.55 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.573 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -148.19 139.71 7.87 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.503 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 56.8 p -77.12 116.99 18.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.885 0.374 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -109.2 54.35 0.55 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.451 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -96.84 26.93 4.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.743 0.306 . . . . 0.0 111.017 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.742 179.902 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.2 mtm . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.842 0.353 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -70.12 121.45 17.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.968 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -95.12 87.76 4.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.926 0.393 . . . . 0.0 110.707 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.7 m -137.08 126.39 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.231 0.539 . . . . 0.0 110.925 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.775 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.0 pt? -89.81 141.52 28.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.871 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.1 p -86.08 -174.34 5.03 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.38 -179.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 8' ' ' ALA . 12.4 ptm180 -57.51 -36.34 71.42 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.82 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.441 ' N ' ' HG3' ' A' ' 7' ' ' ARG . . . -64.02 -41.41 97.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.717 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.775 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -63.62 -59.7 4.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.101 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.497 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -54.4 -34.39 61.2 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.219 0.533 . . . . 0.0 110.116 179.75 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.496 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 1.5 mm-40 -71.54 -40.37 70.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.402 178.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -44.96 89.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.711 178.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.54 HD12 HD12 ' A' ' 55' ' ' LEU . 1.9 tp -60.48 -29.99 69.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.159 179.256 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.897 HD22 ' O ' ' A' ' 19' ' ' LEU . 15.3 mt -74.47 -39.51 62.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.221 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -55.26 -55.34 32.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.958 0.409 . . . . 0.0 110.583 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.446 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 7.2 mp -71.05 -14.83 62.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.965 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.624 ' CD2' HD11 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -90.19 -8.74 50.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.678 -179.62 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.51 20.67 2.15 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.359 0.6 . . . . 0.0 109.903 -178.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.897 ' O ' HD22 ' A' ' 14' ' ' LEU . 3.7 tt -110.83 107.09 57.94 Favored Pre-proline 0 N--CA 1.449 -0.516 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.224 -179.088 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.478 ' O ' HD13 ' A' ' 23' ' ' LEU . 52.5 Cg_exo -51.45 166.7 0.46 Allowed 'Trans proline' 0 N--CA 1.464 -0.251 0 C-N-CA 122.4 2.067 . . . . 0.0 112.732 -179.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.06 -9.0 58.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.782 179.274 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -69.12 -36.17 77.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.105 -179.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.726 HD21 ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -102.32 10.95 38.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.27 179.719 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.722 ' HE3' HD21 ' A' ' 14' ' ' LEU . 62.8 t-105 -52.83 110.19 0.49 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.191 179.407 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 142.89 -24.11 2.28 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.871 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -80.24 101.47 8.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.69 0.281 . . . . 0.0 111.049 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.665 ' CE1' HG11 ' A' ' 66' ' ' VAL . 24.9 t80 -53.5 -51.83 61.56 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.179 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.452 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -54.75 -28.97 48.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.579 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.7 tpp180 -80.95 -54.71 5.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.665 0.269 . . . . 0.0 111.058 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.762 ' HA ' HD13 ' A' ' 19' ' ' LEU . 8.2 ptp -56.17 -45.77 79.57 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.122 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -63.61 -37.83 88.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.705 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.452 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -58.41 -45.27 88.73 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.708 179.672 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.471 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -76.71 -40.89 47.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.97 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.482 ' HB2' HD11 ' A' ' 17' ' ' LEU . 10.9 t80 -52.69 -45.86 67.01 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.89 0.376 . . . . 0.0 110.424 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.89 -34.96 72.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.724 179.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -66.24 -40.86 90.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.782 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 20.3 mm100 -83.13 -23.11 33.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.29 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 79.3 p -73.74 -32.46 63.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.875 0.369 . . . . 0.0 110.261 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.525 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 12.1 mt -70.83 -29.63 65.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.913 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.445 HD12 ' HG ' ' A' ' 41' ' ' LEU . 3.1 pp -89.92 -15.35 32.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.009 179.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.445 ' HG ' HD12 ' A' ' 40' ' ' LEU . 31.3 mt -95.17 -4.17 46.5 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.195 179.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.512 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 2.5 t-160 -67.38 126.95 93.28 Favored Pre-proline 0 CA--C 1.532 0.254 0 CA-C-N 116.673 -0.24 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.512 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 82.3 Cg_exo -44.05 -33.41 5.54 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.885 2.39 . . . . 0.0 113.346 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.54 -10.93 60.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.546 -179.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.525 ' HG3' ' O ' ' A' ' 39' ' ' LEU . 17.1 mmtt -113.17 31.12 6.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.893 0.377 . . . . 0.0 111.128 -179.495 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 65.47 19.54 66.83 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.791 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -92.6 170.24 32.2 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.523 -0.846 . . . . 0.0 112.566 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.524 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -90.08 137.12 32.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.817 0.341 . . . . 0.0 110.958 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -74.45 -33.66 62.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.59 -21.1 66.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.281 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.524 HD13 ' HB2' ' A' ' 48' ' ' SER . 0.5 OUTLIER -86.31 -50.58 6.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.011 -179.893 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.407 ' HE3' ' HA ' ' A' ' 52' ' ' MET . 5.8 tpt -57.18 -29.31 63.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.271 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.96 -32.22 39.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.935 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.04 -44.83 68.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.952 0.406 . . . . 0.0 110.387 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.624 HD11 ' CD2' ' A' ' 17' ' ' LEU . 9.2 tp -60.95 -42.8 98.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.822 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.22 -29.91 70.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.653 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.5 m -76.51 -36.24 57.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.777 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.626 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 16.6 mt -79.44 -22.31 44.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.559 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 64.1 t-105 -90.28 -21.98 21.81 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.63 -64.47 2.58 Favored Glycine 0 C--N 1.335 0.486 0 C-N-CA 121.037 -0.601 . . . . 0.0 111.749 179.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.706 HG23 HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -53.41 -51.69 61.79 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.052 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.549 ' N ' ' CG2' ' A' ' 61' ' ' THR . 1.7 t80 -43.42 -48.97 7.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 113.869 -1.514 . . . . 0.0 109.232 177.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.613 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 0.4 OUTLIER -53.86 -40.99 67.02 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 113.917 -1.492 . . . . 0.0 111.248 179.479 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 93.7 m -47.87 -37.27 13.65 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.453 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 4.7 mm-40 -85.34 -32.04 22.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.59 178.306 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.825 ' HA ' HD23 ' A' ' 69' ' ' LEU . 78.2 t -53.16 -39.26 33.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.951 179.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -65.71 -36.73 84.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.453 ' ND2' ' HA ' ' A' ' 65' ' ' GLU . 20.7 p30 -88.83 -11.71 44.01 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.636 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.825 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -63.15 -33.72 76.07 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.038 0.447 . . . . 0.0 110.291 179.803 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.7 mtm-85 -75.24 1.04 14.52 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.037 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.3 mtt -116.69 -58.15 2.11 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.727 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -67.12 116.23 7.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.688 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.7 tt -129.25 -67.01 0.79 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.006 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -151.43 -125.86 1.24 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.457 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 155.09 109.54 0.33 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.6 m -89.08 116.42 27.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.852 0.358 . . . . 0.0 110.86 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 161.64 72.73 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.455 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -73.91 164.99 25.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.769 0.318 . . . . 0.0 111.019 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.816 179.931 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.843 0.354 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -64.55 -175.03 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.08 71.53 1.04 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.3 m -137.99 125.47 29.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.174 0.511 . . . . 0.0 110.979 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.7 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER -86.53 139.7 30.61 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.776 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.8 p -89.97 -174.32 4.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.796 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -55.06 -41.15 71.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.347 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.6 -33.44 72.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.607 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.7 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 12.0 m-20 -78.04 -54.22 6.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.975 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.642 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -57.44 -33.84 68.35 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.019 0.437 . . . . 0.0 110.068 179.344 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -69.07 -34.56 75.34 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 178.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -35.28 78.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.776 179.034 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.577 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.7 tp -64.2 -36.35 83.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.884 179.171 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.885 HD22 ' O ' ' A' ' 19' ' ' LEU . 11.5 mt -63.21 -40.38 97.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.93 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -57.75 -55.56 33.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.711 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.523 ' HB2' HD13 ' A' ' 55' ' ' LEU . 1.2 mt -65.35 -15.25 62.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 179.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.613 ' O ' ' HB1' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -90.15 -10.71 43.51 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -179.536 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.22 19.35 2.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.405 0.621 . . . . 0.0 110.151 -178.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.885 ' O ' HD22 ' A' ' 14' ' ' LEU . 3.4 tt -110.47 110.99 57.66 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 115.21 -0.904 . . . . 0.0 109.801 -179.329 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.409 ' O ' HD13 ' A' ' 23' ' ' LEU . 86.7 Cg_exo -45.53 167.6 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.871 2.381 . . . . 0.0 113.567 -178.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.437 ' CG ' HD13 ' A' ' 14' ' ' LEU . 19.7 mtt180 -90.16 -3.78 57.67 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.215 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -79.79 -30.34 40.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.955 0.407 . . . . 0.0 111.394 -178.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.743 ' CD2' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -103.77 11.7 35.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.324 -179.868 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.515 ' HE3' HD21 ' A' ' 14' ' ' LEU . 31.0 t-105 -56.47 97.4 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.907 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 161.32 -28.85 0.3 Allowed Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.687 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.4 ' HB3' ' HB2' ' A' ' 29' ' ' ARG . 4.2 t70 -81.28 94.66 6.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.68 0.276 . . . . 0.0 111.123 -179.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.741 ' CE1' HG11 ' A' ' 66' ' ' VAL . 30.3 t80 -47.93 -35.6 10.94 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.306 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.544 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -64.55 -37.05 93.91 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.838 -0.696 . . . . 0.0 113.03 -179.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.4 ' HB2' ' HB3' ' A' ' 26' ' ' ASP . 28.4 mtp180 -80.33 -43.36 21.33 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -179.305 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.878 ' HA ' HD13 ' A' ' 19' ' ' LEU . 12.6 ptp -64.99 -48.62 73.34 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 121.22 -0.192 . . . . 0.0 111.446 -179.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -64.3 -34.4 78.05 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.829 -0.349 . . . . 0.0 110.181 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.544 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.6 OUTLIER -59.25 -50.09 75.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.093 0.473 . . . . 0.0 109.903 179.194 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.613 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -64.31 -42.62 96.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.65 179.481 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.58 ' HB2' HD11 ' A' ' 17' ' ' LEU . 12.3 t80 -50.64 -42.25 56.15 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.827 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -67.73 -41.87 82.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.729 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -60.94 -34.81 75.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.637 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.477 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 64.7 mm-40 -88.69 -20.89 24.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.275 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.6 -27.96 63.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.873 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 69.5 mt -83.91 -26.93 28.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.463 -179.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.441 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 4.5 pp -90.03 -19.59 24.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.76 0.314 . . . . 0.0 110.915 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.6 mt -90.69 9.95 27.77 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.982 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.529 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 24.6 t-80 -88.42 142.55 31.41 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.049 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.529 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 25.4 Cg_endo -63.04 -8.94 15.21 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.499 2.132 . . . . 0.0 113.198 -179.28 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -92.26 -24.91 18.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.77 0.319 . . . . 0.0 110.641 179.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.432 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -105.2 30.63 5.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.766 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.21 72.37 0.68 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.516 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -152.39 173.24 31.52 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.452 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.13 145.23 25.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.82 0.343 . . . . 0.0 110.988 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.6 p-80 -82.54 -40.15 21.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.416 ' O ' ' HG3' ' A' ' 53' ' ' GLN . . . -58.67 -19.02 35.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.472 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 51' ' ' LEU . 7.7 mt -82.68 -48.38 10.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.829 0.347 . . . . 0.0 111.012 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -32.54 50.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.057 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.423 ' O ' ' OG ' ' A' ' 57' ' ' SER . 0.0 OUTLIER -84.49 -31.74 24.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.591 179.646 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 1.0 OUTLIER -70.07 -43.01 72.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.938 0.399 . . . . 0.0 110.784 179.614 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.612 HD11 ' CD2' ' A' ' 17' ' ' LEU . 9.0 tp -70.11 -39.46 75.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.699 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -60.32 -34.78 74.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.6 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 53' ' ' GLN . 0.8 OUTLIER -69.93 -28.21 65.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 179.888 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.522 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 1.9 mt -86.74 -28.92 22.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.091 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.603 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 69.4 t-105 -89.72 -18.38 26.5 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.4 -64.56 2.25 Favored Glycine 0 C--N 1.335 0.507 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.995 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.54 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -53.16 -49.7 66.1 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 179.054 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.559 ' O ' HG23 ' A' ' 66' ' ' VAL . 5.5 t80 -44.43 -52.51 7.75 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 113.473 -1.694 . . . . 0.0 109.183 177.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.603 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 0.9 OUTLIER -56.9 -42.44 79.91 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.476 -1.238 . . . . 0.0 111.045 179.079 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.443 ' HB ' ' O ' ' A' ' 61' ' ' THR . 87.0 m -49.07 -36.5 18.61 Favored 'General case' 0 CA--C 1.521 -0.155 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.051 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -85.44 -30.2 23.73 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.459 178.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.741 HG11 ' CE1' ' A' ' 27' ' ' PHE . 70.5 t -55.26 -44.32 74.64 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.162 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -59.31 -31.64 69.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.977 0.418 . . . . 0.0 110.266 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -91.03 -22.33 20.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.67 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.783 ' C ' HD12 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -60.37 -24.49 65.13 Favored 'General case' 0 N--CA 1.462 0.17 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.169 -179.156 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.04 0.97 16.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.872 0.368 . . . . 0.0 111.923 -179.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.3 mmt -120.53 -40.0 2.71 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.728 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -69.58 145.01 52.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.79 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.38 39.42 1.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.812 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 155.41 -42.96 0.57 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.346 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 150.85 -179.48 27.52 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.424 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 56.1 p -80.62 115.31 20.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.872 0.367 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 129.36 52.67 0.11 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.337 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -80.03 133.07 36.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.015 0.436 . . . . 0.0 111.236 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.221 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 120.833 0.349 . . . . 0.0 111.313 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -125.5 -70.71 0.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.801 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.471 ' HG2' ' OG1' ' A' ' 61' ' ' THR . 0.7 OUTLIER -138.56 83.9 1.99 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.613 179.806 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 4' ' ' VAL . 27.3 m -134.22 119.93 32.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.108 0.48 . . . . 0.0 111.227 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.77 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 1.5 pt? -90.42 143.27 26.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.829 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 p -84.71 -177.25 6.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.547 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.0 ptt180 -55.64 -35.02 65.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.08 -36.92 83.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.77 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 8.6 m-20 -68.55 -57.4 5.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.486 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -58.3 -39.29 78.94 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.011 0.434 . . . . 0.0 110.195 -179.904 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -67.26 -36.24 81.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.488 178.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.914 ' HD2' HD11 ' A' ' 58' ' ' LEU . 14.8 ttm180 -68.03 -33.74 75.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.711 178.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.54 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.9 tp -64.89 -34.72 79.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.686 178.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.944 HD22 ' O ' ' A' ' 19' ' ' LEU . 12.1 mt -65.17 -41.13 94.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -57.84 -43.74 86.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.47 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.411 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 7.1 mp -80.15 -13.87 58.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.85 179.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.751 ' O ' ' HB1' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -90.25 -9.16 49.02 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.772 -179.628 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.78 19.07 3.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.303 0.573 . . . . 0.0 109.956 -178.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.944 ' O ' HD22 ' A' ' 14' ' ' LEU . 3.2 tt -112.15 110.82 53.5 Favored Pre-proline 0 N--CA 1.449 -0.489 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.804 -179.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.442 ' O ' HD13 ' A' ' 23' ' ' LEU . 75.2 Cg_exo -47.02 166.85 0.08 OUTLIER 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.572 2.181 . . . . 0.0 112.997 -179.001 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.18 -2.98 58.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.422 179.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.94 -28.35 35.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.788 0.328 . . . . 0.0 111.185 -179.26 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.681 HD21 ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -105.1 11.48 33.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.229 179.92 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.589 ' HE3' HD21 ' A' ' 14' ' ' LEU . 44.0 t-105 -55.63 96.47 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.996 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 162.29 -28.98 0.27 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.627 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.439 ' HB3' ' HB2' ' A' ' 29' ' ' ARG . 5.3 t0 -78.57 94.88 5.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.825 0.345 . . . . 0.0 110.919 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.741 ' CE1' HG11 ' A' ' 66' ' ' VAL . 44.6 t80 -49.51 -39.85 35.65 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.722 -179.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.15 -32.58 82.97 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.814 -0.707 . . . . 0.0 113.391 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.545 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -82.36 -46.46 13.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.725 0.263 . . . . 0.0 111.663 -179.35 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.791 ' HA ' HD13 ' A' ' 19' ' ' LEU . 14.5 ptp -58.05 -46.49 85.29 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.599 0.238 . . . . 0.0 110.863 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -62.01 -43.86 97.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.855 0.36 . . . . 0.0 110.182 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -59.45 -32.98 70.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.999 179.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.751 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -78.9 -42.78 26.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.316 179.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.447 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 13.4 t80 -53.2 -47.69 68.7 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.465 179.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.61 -37.33 68.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.54 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.4 -35.65 72.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.431 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 82.6 mm-40 -90.13 -20.95 22.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.022 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.0 m -69.25 -28.42 66.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.397 179.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.407 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 5.0 mt -73.93 -32.09 63.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.052 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.729 HD12 ' HG ' ' A' ' 41' ' ' LEU . 2.7 pp -87.67 -15.89 35.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.425 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.729 ' HG ' HD12 ' A' ' 40' ' ' LEU . 20.1 mt -95.15 3.14 55.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.403 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -76.93 130.03 77.01 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-O 120.806 0.336 . . . . 0.0 111.006 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_exo -43.82 -38.7 9.99 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.225 2.616 . . . . 0.0 113.875 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.18 -13.73 20.16 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 -179.195 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 39' ' ' LEU . 7.7 mmtm -103.75 31.0 4.69 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.832 0.349 . . . . 0.0 110.937 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 61.74 17.52 54.44 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.856 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -93.46 179.48 38.94 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.398 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.808 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.7 OUTLIER -90.03 145.78 24.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.789 0.328 . . . . 0.0 110.913 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -83.32 -35.29 25.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.934 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.36 -32.56 74.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.095 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.808 HD13 ' HB2' ' A' ' 48' ' ' SER . 6.1 mp -59.89 -56.49 21.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.68 -31.55 64.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -64.18 -29.58 70.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.81 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -43.01 35.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.52 HD11 ' CD2' ' A' ' 17' ' ' LEU . 7.7 tp -55.66 -46.44 77.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.992 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -59.23 -31.08 68.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.7 m -77.35 -53.23 7.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.933 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.914 HD11 ' HD2' ' A' ' 12' ' ' ARG . 11.1 mt -62.39 -28.34 69.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.059 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.53 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 63.2 t-105 -90.1 -24.57 21.08 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 179.507 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.462 ' HA2' ' NZ ' ' A' ' 63' ' ' LYS . . . -69.47 -65.85 2.44 Favored Glycine 0 C--N 1.335 0.508 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.962 179.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.718 HG23 HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -50.5 -50.15 53.63 Favored 'General case' 0 CA--C 1.513 -0.475 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 178.765 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.537 ' N ' ' CG2' ' A' ' 61' ' ' THR . 7.5 t80 -45.65 -51.35 12.39 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 113.348 -1.751 . . . . 0.0 109.359 177.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.565 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 0.2 OUTLIER -55.85 -39.05 70.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.307 -1.315 . . . . 0.0 111.333 179.747 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.438 ' HB ' ' O ' ' A' ' 61' ' ' THR . 89.0 m -47.32 -38.69 13.22 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 121.395 0.617 . . . . 0.0 109.481 179.402 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -85.72 -31.56 22.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.859 178.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.983 ' HA ' HD23 ' A' ' 69' ' ' LEU . 62.9 t -52.72 -45.44 49.04 Favored 'Isoleucine or valine' 0 C--O 1.23 0.066 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.049 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.54 -30.07 68.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.418 179.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -90.88 -23.48 20.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.727 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.983 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -59.85 -33.47 71.83 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.788 0.327 . . . . 0.0 110.906 -179.402 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.1 mtp-105 -76.15 1.1 16.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.057 0.456 . . . . 0.0 111.756 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.8 mtm -119.69 -42.64 2.62 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.554 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -68.97 127.99 35.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.749 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.77 85.64 2.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 72.49 158.98 4.39 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.518 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 163.29 -104.92 0.24 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.528 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 10.1 t -69.3 139.54 54.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.832 0.348 . . . . 0.0 110.958 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 155.02 -37.1 0.65 Allowed Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.551 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -157.92 106.05 2.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.771 0.319 . . . . 0.0 110.879 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.803 179.939 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.827 0.346 . . . . 0.0 111.403 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.68 122.19 6.9 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.255 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -94.53 90.08 6.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.696 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.5 m -129.84 127.56 64.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.149 0.5 . . . . 0.0 111.281 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.824 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.5 pt? -87.26 143.61 27.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.827 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 p -85.4 -174.07 5.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.403 -179.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.9 mtt180 -57.54 -38.57 74.93 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.689 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.03 -40.81 98.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.111 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.824 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 4.6 m-20 -64.81 -59.09 4.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.851 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.459 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -57.44 -37.9 73.57 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.985 0.422 . . . . 0.0 110.367 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -64.9 -38.11 89.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.275 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 -75.19 -34.02 61.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.141 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.631 ' O ' HD13 ' A' ' 17' ' ' LEU . 2.3 tp -62.95 -35.0 78.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.137 179.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.715 HD22 ' O ' ' A' ' 19' ' ' LEU . 25.4 mt -71.62 -41.54 68.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.863 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -57.04 -28.96 62.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.796 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.2 mt -89.51 -24.32 21.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.09 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.721 HD11 HD11 ' A' ' 55' ' ' LEU . 8.6 mp -87.51 -2.51 58.66 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.45 19.79 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.299 0.571 . . . . 0.0 109.902 -178.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.874 HD13 ' HA ' ' A' ' 30' ' ' MET . 3.0 tt -109.87 109.49 59.32 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.98 -179.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.414 ' O ' HD13 ' A' ' 23' ' ' LEU . 78.6 Cg_exo -46.63 169.29 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.819 2.346 . . . . 0.0 113.235 -179.071 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -90.04 -10.63 44.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.789 179.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -32.51 69.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.377 -178.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.817 HD21 HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -102.03 10.0 39.94 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.387 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.649 ' HE3' HD21 ' A' ' 14' ' ' LEU . 69.4 t-105 -50.55 108.26 0.22 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.302 179.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 143.32 -23.93 2.21 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.959 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.427 ' HB3' ' HB2' ' A' ' 29' ' ' ARG . 15.6 t0 -78.1 93.14 4.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.77 0.319 . . . . 0.0 111.138 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.467 ' HA ' ' HG2' ' A' ' 30' ' ' MET . 20.4 t80 -51.75 -40.97 61.21 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.936 -179.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.01 -37.71 93.42 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 113.44 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.427 ' HB2' ' HB3' ' A' ' 26' ' ' ASP . 2.1 mmt-85 -78.63 -37.12 42.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.73 0.265 . . . . 0.0 111.487 -179.349 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.874 ' HA ' HD13 ' A' ' 19' ' ' LEU . 12.0 ptp -68.58 -45.97 70.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.641 0.258 . . . . 0.0 110.824 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -61.02 -37.34 82.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.901 0.381 . . . . 0.0 110.306 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.98 -46.52 88.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.337 179.392 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.495 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -72.69 -32.0 65.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.829 179.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.484 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 14.1 t80 -63.79 -44.79 92.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.628 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.3 -42.56 96.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.857 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -65.3 -30.94 71.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.429 ' HG3' ' HA ' ' A' ' 17' ' ' LEU . 98.5 mm-40 -87.46 -22.12 25.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.055 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.5 m -76.03 -30.68 58.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.472 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.89 -35.74 69.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.905 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 pp -84.15 -13.77 51.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.197 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.731 HD22 ' HB3' ' A' ' 51' ' ' LEU . 37.0 mt -93.35 1.97 56.73 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 120.776 0.322 . . . . 0.0 110.922 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.529 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 4.8 t-80 -78.7 140.01 58.77 Favored Pre-proline 0 CA--C 1.531 0.217 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.367 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.529 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 20.2 Cg_endo -62.33 -14.96 41.83 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.82 2.346 . . . . 0.0 113.856 -178.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.69 -20.78 28.87 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.984 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.434 ' HD3' ' HB3' ' A' ' 42' ' ' HIS . 0.2 OUTLIER -103.12 28.66 6.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.948 0.404 . . . . 0.0 110.62 179.625 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.43 30.16 60.8 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.468 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 43' ' ' PRO . . . -105.73 163.06 14.01 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.979 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.54 158.6 16.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.992 0.425 . . . . 0.0 111.234 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -78.18 -49.65 13.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.628 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.432 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -55.6 -36.5 67.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.535 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.731 ' HB3' HD22 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -70.33 -48.56 55.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.919 0.39 . . . . 0.0 110.708 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.404 ' HE3' HD23 ' A' ' 55' ' ' LEU . 7.5 tpt -57.84 -48.93 78.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.251 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -69.16 -32.66 72.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.211 -179.638 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 1.9 mt-10 -62.28 -41.38 98.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.958 0.408 . . . . 0.0 110.521 179.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.721 HD11 HD11 ' A' ' 17' ' ' LEU . 37.2 tp -64.28 -51.52 63.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.935 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.11 -37.78 81.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.719 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.6 -37.95 88.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.786 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.613 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 21.0 mt -82.52 -23.58 34.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.563 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 71.1 t-105 -89.77 -18.24 26.69 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.96 -61.08 2.75 Favored Glycine 0 C--N 1.335 0.484 0 C-N-CA 120.995 -0.621 . . . . 0.0 111.702 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.561 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -55.76 -50.43 70.45 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 178.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.561 ' N ' ' CG2' ' A' ' 61' ' ' THR . 1.5 t80 -44.35 -49.1 9.69 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 113.406 -1.725 . . . . 0.0 109.481 177.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.586 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 1.8 ttmt -59.64 -34.97 73.48 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 114.237 -1.347 . . . . 0.0 111.131 179.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.1 m -47.23 -37.8 11.1 Favored 'General case' 0 CA--C 1.521 -0.147 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -85.61 -33.3 21.68 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.678 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.743 ' HA ' HD23 ' A' ' 69' ' ' LEU . 78.5 t -54.87 -40.59 53.41 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.747 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -63.95 -30.11 71.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.396 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -90.51 -20.55 22.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.331 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.743 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -58.6 -38.89 78.94 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.781 0.324 . . . . 0.0 110.54 -179.364 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -72.98 1.0 9.69 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.204 -0.453 . . . . 0.0 112.126 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.1 mmm -108.87 -31.11 7.8 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.519 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 33.0 m-20 -64.54 173.47 2.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.916 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -95.25 21.98 7.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -96.79 27.78 16.45 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.5 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.44 -83.59 0.1 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.497 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.1 t -72.95 140.77 47.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.909 0.385 . . . . 0.0 111.083 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -159.06 53.55 0.37 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.312 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -72.8 124.82 26.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.864 0.364 . . . . 0.0 111.108 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.877 179.829 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.4 mmt . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.85 0.357 . . . . 0.0 111.421 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -69.68 115.08 8.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.217 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.1 ptt-85 -146.87 96.43 2.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.639 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.408 ' O ' HG23 ' A' ' 4' ' ' VAL . 31.3 m -137.83 119.41 17.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.427 0.632 . . . . 0.0 111.325 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.821 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER -77.98 147.56 34.84 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.308 179.748 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.44 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 90.0 p -90.57 -177.32 5.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.136 -179.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.418 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . 9.6 mtt180 -54.65 -35.8 63.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.919 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.06 -36.06 77.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.615 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.821 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 17.4 m-20 -84.89 -46.03 11.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.261 -179.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.724 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -62.39 -35.36 78.94 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.161 179.671 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.44 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 7.7 mm-40 -68.74 -34.46 75.64 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -60.86 -32.54 71.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.833 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.635 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.7 tp -68.43 -36.25 78.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.918 179.243 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.841 HD22 ' O ' ' A' ' 19' ' ' LEU . 14.2 mt -68.53 -38.44 80.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.064 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.79 -50.46 70.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.857 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.766 HD21 HD23 ' A' ' 51' ' ' LEU . 1.9 mt -75.28 -15.66 60.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.094 179.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.635 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.3 mm? -90.16 -8.3 51.55 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.787 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.37 20.77 1.5 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.34 0.59 . . . . 0.0 110.229 -178.625 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.841 ' O ' HD22 ' A' ' 14' ' ' LEU . 3.6 tt -107.89 107.64 60.5 Favored Pre-proline 0 N--CA 1.449 -0.516 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.813 -179.681 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.418 ' O ' HD13 ' A' ' 23' ' ' LEU . 88.0 Cg_exo -47.22 168.31 0.07 OUTLIER 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.742 2.295 . . . . 0.0 113.143 -178.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.87 -5.01 58.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.89 179.384 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -75.71 -33.99 60.35 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.152 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.714 HD21 ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -104.4 12.96 32.8 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.346 -179.743 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.674 ' HE3' HD21 ' A' ' 14' ' ' LEU . 54.4 t-105 -55.89 105.71 0.21 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.037 179.348 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 150.33 -21.26 1.08 Allowed Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.91 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.444 ' O ' ' HG2' ' A' ' 30' ' ' MET . 21.6 t0 -84.35 108.44 17.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.663 0.231 . . . . 0.0 111.038 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.785 ' CE1' HG11 ' A' ' 66' ' ' VAL . 12.3 t80 -61.42 -40.18 93.49 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.699 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.59 -33.22 84.16 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.774 -0.727 . . . . 0.0 113.244 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.447 ' HB3' HD11 ' A' ' 19' ' ' LEU . 40.8 mtt-85 -82.99 -41.93 18.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.86 0.33 . . . . 0.0 111.669 -179.298 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.565 ' HA ' HD13 ' A' ' 19' ' ' LEU . 14.2 ptp -65.98 -49.09 69.07 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 121.323 -0.151 . . . . 0.0 111.111 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -63.3 -40.54 97.63 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.499 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 7.0 tp60 -60.51 -38.95 86.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.946 179.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.19 -42.35 55.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.595 179.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.479 ' CD2' ' CG ' ' A' ' 59' ' ' TRP . 11.9 t80 -51.77 -39.33 58.41 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.706 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -74.25 -42.84 59.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.975 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.499 ' HG2' ' O ' ' A' ' 32' ' ' GLN . 27.2 mm-40 -65.65 -31.93 73.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.628 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.89 ' OE1' HD21 ' A' ' 40' ' ' LEU . 97.8 mm-40 -87.31 -22.69 24.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.02 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.41 -22.07 62.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.439 179.096 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mt -83.75 -32.15 25.59 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.253 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.89 HD21 ' OE1' ' A' ' 37' ' ' GLN . 4.3 pp -85.19 -10.45 56.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.3 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.459 HD12 ' O ' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -95.09 -10.13 31.63 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.795 0.331 . . . . 0.0 110.952 179.462 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.559 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 2.4 t-80 -58.91 145.36 79.64 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.405 179.27 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.552 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 38.5 Cg_endo -67.3 -8.57 22.4 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.355 2.037 . . . . 0.0 112.755 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.435 ' HB3' ' HD2' ' A' ' 45' ' ' LYS . 2.2 t70 -88.48 -22.08 23.84 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 120.654 0.264 . . . . 0.0 110.853 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.559 ' HD3' ' HB3' ' A' ' 42' ' ' HIS . 0.2 OUTLIER -106.72 29.56 6.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.834 0.349 . . . . 0.0 110.639 179.594 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.48 66.27 2.41 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.433 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -137.29 161.91 25.31 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.413 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.689 ' HB2' HD13 ' A' ' 51' ' ' LEU . 1.1 m -90.18 133.81 34.67 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.754 0.311 . . . . 0.0 110.805 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.438 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 5.9 p80 -69.34 -28.63 66.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.892 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.45 ' HA ' HE21 ' A' ' 53' ' ' GLN . . . -68.58 -27.74 66.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.554 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.766 HD23 HD21 ' A' ' 16' ' ' LEU . 1.7 mp -78.27 -50.29 12.12 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.983 0.42 . . . . 0.0 111.011 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.93 -51.62 63.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.674 -179.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.45 HE21 ' HA ' ' A' ' 50' ' ' ALA . 17.7 pt20 -64.03 -26.88 68.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.631 0.253 . . . . 0.0 111.151 -179.512 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -73.44 -39.07 65.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.09 0.471 . . . . 0.0 110.451 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.454 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 13.6 tp -58.04 -42.28 85.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.267 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -62.05 -29.06 70.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.04 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.1 t -76.72 -28.4 55.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.207 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.637 HD23 HD23 ' A' ' 5' ' ' LEU . 17.4 mt -89.84 -31.45 17.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.166 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.675 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 66.0 t-105 -88.07 -17.05 31.94 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 179.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.42 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -78.95 -59.66 2.73 Favored Glycine 0 C--N 1.338 0.676 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.156 179.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.548 HG21 ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -57.08 -50.59 72.31 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 179.221 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.547 ' N ' ' CG2' ' A' ' 61' ' ' THR . 4.7 t80 -43.55 -51.09 7.02 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 113.359 -1.746 . . . . 0.0 109.311 177.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.675 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 1.2 ttmt -55.76 -39.45 71.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.191 -1.368 . . . . 0.0 111.162 179.304 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.428 ' HB ' ' O ' ' A' ' 61' ' ' THR . 91.5 m -48.25 -37.58 16.47 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.191 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.515 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 1.8 mm-40 -85.2 -29.94 24.3 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.793 178.529 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.876 ' HA ' HD23 ' A' ' 69' ' ' LEU . 70.3 t -56.72 -33.81 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.949 179.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -69.75 -35.23 74.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.712 0.291 . . . . 0.0 110.819 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.515 ' ND2' ' HA ' ' A' ' 65' ' ' GLU . 17.1 p30 -88.98 -15.28 34.58 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.338 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.876 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -59.57 -31.07 69.1 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 120.889 0.376 . . . . 0.0 110.884 179.841 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -73.91 1.06 11.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.865 -179.56 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 8.8 mmt -106.7 -31.36 8.47 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.786 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -67.94 -171.71 0.24 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.621 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.18 74.87 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.661 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -153.46 52.05 0.47 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.556 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -74.76 101.52 1.31 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.461 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 73.2 p -84.95 103.44 14.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.905 0.383 . . . . 0.0 111.139 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 64.91 -78.27 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.883 -0.675 . . . . 0.0 113.071 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.8 106.98 9.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.832 0.349 . . . . 0.0 111.455 -179.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.68 179.593 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 mtm . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.862 0.363 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.04 139.86 45.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.118 -179.935 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.3 ttm-85 -95.86 90.81 5.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.235 179.493 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.7 m -138.11 122.06 21.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.345 0.593 . . . . 0.0 111.512 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.808 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER -87.49 147.8 25.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.292 179.452 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.425 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 27.0 p -90.61 -174.26 4.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.436 -179.44 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.424 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 7.5 mtt180 -58.07 -39.17 77.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.656 179.893 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.37 -49.13 76.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.303 179.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.808 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 21.8 m-20 -64.82 -57.22 9.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.952 -179.836 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.49 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -54.12 -31.76 53.11 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.999 0.428 . . . . 0.0 110.009 179.53 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 8.7 mt-10 -65.9 -38.74 89.51 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.583 178.502 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -62.46 -30.59 71.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.905 179.195 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.741 ' O ' HD23 ' A' ' 17' ' ' LEU . 3.1 tp -70.73 -31.62 68.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.987 179.149 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.924 HD22 ' O ' ' A' ' 19' ' ' LEU . 11.7 mt -72.96 -41.12 64.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.988 179.748 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -54.61 -47.03 73.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.017 0.437 . . . . 0.0 110.526 179.667 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.582 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 18.1 mt -77.58 -15.51 59.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.074 179.685 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.742 ' CD2' HD11 ' A' ' 55' ' ' LEU . 1.3 mm? -90.44 -7.18 53.76 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -179.718 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 52.92 20.29 1.6 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.32 0.581 . . . . 0.0 110.292 -178.879 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.924 ' O ' HD22 ' A' ' 14' ' ' LEU . 3.2 tt -109.57 109.35 59.92 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.142 -179.204 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.414 ' O ' HD13 ' A' ' 23' ' ' LEU . 86.0 Cg_exo -47.99 167.92 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.752 2.302 . . . . 0.0 113.672 -178.695 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.439 ' HG3' HD12 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -88.65 -3.26 58.83 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.549 179.924 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.16 -30.6 30.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.992 0.425 . . . . 0.0 111.05 -178.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.703 ' O ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -106.29 13.12 29.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.479 -179.892 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.625 ' HE3' HD21 ' A' ' 14' ' ' LEU . 54.8 t-105 -53.74 96.79 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.168 179.516 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 159.16 -25.02 0.33 Allowed Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.828 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -77.26 97.28 4.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.8 0.333 . . . . 0.0 111.169 -179.832 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.722 ' CE1' HG11 ' A' ' 66' ' ' VAL . 24.9 t80 -52.48 -37.18 56.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.938 0.399 . . . . 0.0 111.473 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.451 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -63.87 -34.73 90.73 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.874 -0.679 . . . . 0.0 113.477 -179.277 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -81.23 -44.15 18.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.866 0.333 . . . . 0.0 111.721 -179.167 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.651 ' HA ' HD13 ' A' ' 19' ' ' LEU . 14.8 ptp -63.08 -46.32 87.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.63 0.252 . . . . 0.0 111.044 -179.875 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -64.86 -35.45 81.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.777 0.322 . . . . 0.0 110.509 179.748 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.451 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -61.86 -45.48 93.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 0.0 109.916 179.378 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.449 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -71.33 -43.33 67.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.577 179.493 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.441 ' HB2' HD11 ' A' ' 17' ' ' LEU . 13.1 t80 -50.76 -50.27 56.22 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-O 120.958 0.408 . . . . 0.0 110.59 179.43 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -66.05 -29.77 70.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.944 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -72.43 -51.02 22.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.106 0.479 . . . . 0.0 110.812 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.582 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 23.0 mm100 -71.39 -17.79 62.39 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.345 -179.65 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.6 m -69.52 -31.89 70.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.988 0.423 . . . . 0.0 110.367 179.253 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.7 mt -69.61 -34.0 73.47 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.119 -179.862 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 4.4 pp -87.08 -15.7 37.76 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.625 0.25 . . . . 0.0 111.278 179.912 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.634 HD22 ' HB3' ' A' ' 51' ' ' LEU . 60.2 mt -95.11 6.16 49.83 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 120.751 0.31 . . . . 0.0 110.853 179.33 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.582 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 20.4 t60 -89.64 143.38 30.34 Favored Pre-proline 0 C--N 1.332 -0.179 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.633 179.838 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.582 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 33.4 Cg_endo -65.33 -10.26 25.31 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.708 2.272 . . . . 0.0 113.494 -179.14 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -85.47 -18.66 32.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.682 0.277 . . . . 0.0 110.945 179.58 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt -116.3 30.93 7.04 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.794 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.48 32.52 57.62 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.706 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -105.8 161.3 14.5 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.533 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.799 ' CB ' HD13 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -90.25 147.38 23.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.701 0.286 . . . . 0.0 110.878 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -73.41 -43.15 61.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.566 179.706 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.68 -30.07 71.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.778 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.799 HD13 ' CB ' ' A' ' 48' ' ' SER . 5.8 mp -67.24 -49.44 64.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.698 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -25.85 68.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.832 179.588 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -73.3 -33.78 65.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.91 -54.21 38.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.921 -179.89 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.742 HD11 ' CD2' ' A' ' 17' ' ' LEU . 8.9 tp -58.01 -45.7 86.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.146 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.73 -39.68 81.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.962 -179.837 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 41.6 t -70.11 -46.88 63.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.898 0.38 . . . . 0.0 110.855 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.565 HD23 ' CD2' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -69.83 -25.57 63.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 179.86 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.625 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 70.6 t-105 -89.61 -11.69 41.92 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.16 179.49 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -79.49 -63.33 2.04 Favored Glycine 0 C--N 1.337 0.6 0 C-N-CA 120.917 -0.659 . . . . 0.0 111.735 179.303 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.54 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -57.07 -51.14 70.47 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 178.832 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.54 ' N ' ' CG2' ' A' ' 61' ' ' THR . 4.1 t80 -42.98 -50.05 5.92 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 113.675 -1.602 . . . . 0.0 109.36 178.033 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.625 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 4.0 ttmt -55.08 -43.78 74.24 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.45 -1.25 . . . . 0.0 111.323 179.417 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.5 m -47.14 -36.64 8.74 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.298 0.57 . . . . 0.0 109.551 179.322 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -85.43 -31.38 22.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.397 178.293 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.977 ' HA ' HD23 ' A' ' 69' ' ' LEU . 51.6 t -52.37 -34.94 19.23 Favored 'Isoleucine or valine' 0 C--O 1.231 0.122 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.812 179.538 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -69.9 -28.16 65.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.96 0.409 . . . . 0.0 110.287 179.526 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -90.99 -21.66 21.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.603 179.658 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.977 HD23 ' HA ' ' A' ' 66' ' ' VAL . 1.1 pp -58.82 -35.83 73.52 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.866 0.365 . . . . 0.0 111.015 -179.762 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.98 1.25 5.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 112.009 -179.511 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.9 mtt -107.04 -29.26 9.52 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.548 179.504 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -64.51 111.69 2.81 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 179.84 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.6 mt -113.09 23.04 13.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.228 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.67 103.17 2.48 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.479 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -160.63 69.92 0.24 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.344 -179.94 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 12.5 p -81.36 121.2 25.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.814 0.34 . . . . 0.0 110.792 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 108.68 9.42 26.79 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.625 -179.85 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -92.24 107.33 19.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.888 0.375 . . . . 0.0 110.785 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.983 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.836 0.35 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -57.65 134.42 56.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 179.926 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.02 88.64 4.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.815 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.7 m -137.66 125.66 31.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.975 179.679 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.797 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.2 pt? -88.59 149.08 23.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.325 -179.612 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.3 p -90.33 -172.18 3.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.353 -179.337 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.6 mmt85 -59.94 -36.45 77.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.349 179.562 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.82 -42.59 99.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.161 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.797 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 40.7 m-20 -63.1 -59.07 5.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.109 -179.902 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.47 ' N ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -59.55 -38.61 81.53 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.77 0.319 . . . . 0.0 110.517 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.419 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 5.2 tp10 -65.18 -27.2 68.53 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.416 179.22 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.9 tpp180 -85.29 -29.48 24.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.39 179.411 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.432 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.6 tp -70.79 -34.86 72.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.185 179.439 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.909 HD22 ' O ' ' A' ' 19' ' ' LEU . 12.8 mt -70.17 -38.65 75.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.837 179.708 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.29 -41.07 83.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.514 179.732 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.577 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 0.4 OUTLIER -79.71 -19.46 48.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.984 179.927 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.523 HD12 ' HB3' ' A' ' 33' ' ' ALA . 1.3 mm? -90.25 -6.24 55.44 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -179.804 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.86 21.47 1.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.428 0.632 . . . . 0.0 109.874 -178.727 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.909 ' O ' HD22 ' A' ' 14' ' ' LEU . 3.4 tt -109.74 110.87 59.24 Favored Pre-proline 0 N--CA 1.449 -0.487 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.661 -179.054 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.405 ' O ' HD13 ' A' ' 23' ' ' LEU . 79.3 Cg_exo -48.72 169.11 0.09 OUTLIER 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.598 2.199 . . . . 0.0 113.243 -178.863 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.469 ' HG2' HD12 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -88.96 -13.05 39.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.741 179.253 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -65.92 -36.29 82.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.071 -179.459 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.856 HD21 HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -100.77 7.89 43.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.159 179.789 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.624 ' HE3' HD21 ' A' ' 14' ' ' LEU . 60.5 t-105 -50.66 99.71 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.174 179.587 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.21 -23.93 0.59 Allowed Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.939 179.857 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.417 ' O ' ' HG2' ' A' ' 30' ' ' MET . 30.4 t0 -79.0 85.91 4.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.665 0.269 . . . . 0.0 111.181 -179.78 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.683 ' CD1' HG11 ' A' ' 66' ' ' VAL . 16.6 t80 -45.0 -40.27 6.33 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.762 -179.84 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.37 -37.8 95.39 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.855 -0.688 . . . . 0.0 113.266 -179.429 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -50.06 17.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.66 0.267 . . . . 0.0 111.53 -179.399 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.682 ' HA ' HD13 ' A' ' 19' ' ' LEU . 12.4 ptp -57.78 -48.27 80.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.324 -179.504 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -57.85 -37.59 74.16 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.93 0.395 . . . . 0.0 110.158 179.568 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -41.92 98.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.968 179.138 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.523 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -72.57 -38.97 67.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.606 179.425 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.4 ' HB2' HD11 ' A' ' 17' ' ' LEU . 10.1 t80 -54.0 -39.59 66.21 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.491 179.642 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.416 ' HA ' ' HB2' ' A' ' 38' ' ' SER . 0.9 OUTLIER -73.51 -35.84 65.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.678 179.756 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -60.22 -45.28 93.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.987 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.577 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 18.7 mp0 -83.87 -20.71 32.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.101 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.416 ' HB2' ' HA ' ' A' ' 35' ' ' LYS . 1.0 OUTLIER -72.42 -26.76 61.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.341 179.328 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.6 mt -72.57 -31.43 65.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.381 -179.72 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.9 pp -88.62 -16.5 32.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.676 0.274 . . . . 0.0 110.934 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.7 mt -95.02 1.89 55.22 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 120.863 0.363 . . . . 0.0 110.611 178.848 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.54 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 5.8 t-80 -81.55 134.5 50.99 Favored Pre-proline 0 CA--C 1.529 0.155 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.357 179.629 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.54 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 13.0 Cg_endo -57.05 -16.94 22.73 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.665 2.243 . . . . 0.0 113.277 -179.304 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.37 -20.02 32.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.577 0.227 . . . . 0.0 111.235 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -111.17 30.75 6.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.92 0.39 . . . . 0.0 110.672 179.839 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.05 49.56 74.16 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.596 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -112.28 -178.68 19.87 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.392 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.16 140.1 30.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.331 . . . . 0.0 110.861 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.48 -42.62 18.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.52 -31.68 72.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.444 -179.874 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.1 mt -70.71 -49.31 48.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.29 -34.52 33.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.211 -179.89 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.6 mm100 -74.9 -30.54 61.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.79 179.655 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.38 -57.23 8.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.79 179.821 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.449 HD11 HD23 ' A' ' 17' ' ' LEU . 11.3 tp -58.18 -33.22 69.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -62.21 -48.48 79.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.588 179.663 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 57.3 p -66.12 -45.47 80.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.587 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 13.5 mt -68.24 -27.44 66.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.24 -179.784 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.521 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 65.5 t-105 -90.3 -15.76 30.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.276 179.886 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.417 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -80.56 -63.81 1.89 Allowed Glycine 0 C--N 1.336 0.544 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.833 179.138 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.693 HG23 HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -52.91 -49.6 65.61 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 178.856 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.515 ' N ' ' CG2' ' A' ' 61' ' ' THR . 6.7 t80 -44.39 -52.29 7.85 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 113.405 -1.725 . . . . 0.0 109.433 178.023 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.602 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 2.6 ttmt -55.09 -40.67 70.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.124 -1.398 . . . . 0.0 111.205 179.564 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.459 ' HB ' ' O ' ' A' ' 61' ' ' THR . 96.5 m -49.99 -36.19 27.39 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 178.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -85.22 -31.72 23.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.157 -0.928 . . . . 0.0 109.505 178.265 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.683 HG11 ' CD1' ' A' ' 27' ' ' PHE . 72.8 t -52.05 -38.93 24.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.917 -179.872 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.19 -27.87 69.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.057 0.456 . . . . 0.0 109.877 179.086 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -90.85 -26.85 19.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.062 179.549 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.731 ' C ' HD12 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -71.69 -10.93 60.51 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.509 -179.629 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.408 ' NE ' ' HA ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -76.65 1.12 17.85 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.896 0.379 . . . . 0.0 111.986 -179.975 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.6 mtt -125.11 -60.61 1.34 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.301 179.39 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -71.66 134.91 46.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.675 179.67 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 73' ' ' LEU . 4.3 mm? -85.73 87.19 7.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.529 179.816 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 119.66 173.54 15.35 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.396 -179.796 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -126.14 -128.26 3.17 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.753 -179.836 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.1 p -76.41 113.56 14.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.921 0.391 . . . . 0.0 111.13 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 161.64 43.86 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.291 179.938 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -67.73 139.92 56.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.855 0.359 . . . . 0.0 111.072 -179.759 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.823 179.778 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.8 mtm . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 120.805 0.336 . . . . 0.0 111.437 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -77.49 132.05 38.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.961 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.7 mtt-85 -95.33 93.5 7.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.259 179.664 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.5 m -81.71 121.14 34.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.463 0.649 . . . . 0.0 111.197 -179.666 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.793 HD13 ' HB3' ' A' ' 10' ' ' LYS . 0.8 OUTLIER -90.5 140.28 29.89 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.483 179.851 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.4 p -80.67 -178.16 6.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.31 179.673 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 7' ' ' ARG . 1.0 OUTLIER -56.32 -38.92 71.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.903 179.955 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.24 -42.44 83.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.458 -179.82 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.779 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 47.2 m-20 -67.01 -52.29 44.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.242 -179.662 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.793 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.5 OUTLIER -57.26 -36.57 71.13 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.969 0.414 . . . . 0.0 110.043 179.428 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.421 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 2.0 mt-10 -69.98 -30.27 67.56 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.771 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.448 HH21 HD11 ' A' ' 58' ' ' LEU . 25.7 ttp180 -67.85 -42.62 81.08 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.59 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.486 HD13 ' HB3' ' A' ' 58' ' ' LEU . 1.5 tp -53.39 -36.36 61.36 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.911 178.921 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.654 HD22 ' O ' ' A' ' 19' ' ' LEU . 13.7 mt -64.63 -50.66 66.24 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.31 179.912 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -48.97 -31.7 7.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.326 -179.476 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 mp -82.8 -35.95 25.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.94 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.774 HD11 HD11 ' A' ' 55' ' ' LEU . 9.1 mp -78.19 3.04 16.24 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -179.808 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.85 18.62 3.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.431 0.634 . . . . 0.0 109.765 -178.72 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.807 HD13 ' HA ' ' A' ' 30' ' ' MET . 5.5 tt -114.6 104.67 54.26 Favored Pre-proline 0 N--CA 1.448 -0.526 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.08 -179.206 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.54 ' C ' HD13 ' A' ' 14' ' ' LEU . 38.6 Cg_exo -58.08 173.91 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.805 2.337 . . . . 0.0 113.346 -178.673 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.87 -11.99 54.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.776 179.029 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.09 -28.06 69.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.961 -179.49 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.765 HD21 ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -116.32 13.02 15.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.198 179.947 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.599 ' HE3' HD11 ' A' ' 14' ' ' LEU . 44.3 t-105 -52.85 104.89 0.1 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.131 179.312 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 151.19 -32.33 0.95 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.809 179.897 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -73.91 88.24 1.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 0.0 110.978 -179.815 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.499 ' CE1' HG11 ' A' ' 66' ' ' VAL . 16.0 t80 -46.95 -43.12 18.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.934 -179.69 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.22 -32.94 68.48 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.876 -0.678 . . . . 0.0 113.264 -179.36 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.01 -46.76 12.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.801 0.3 . . . . 0.0 111.634 -179.254 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.807 ' HA ' HD13 ' A' ' 19' ' ' LEU . 13.7 ptp -61.98 -44.53 96.55 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.063 -179.805 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -63.7 -43.27 97.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.864 0.364 . . . . 0.0 110.4 179.574 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -60.85 -42.06 97.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.329 179.412 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.441 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -73.82 -31.44 63.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.577 179.634 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.494 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 7.9 t80 -62.39 -46.74 87.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.449 179.6 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.98 -40.6 95.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.83 179.864 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -60.45 -29.76 69.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.715 179.878 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.417 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 9.8 mm-40 -83.96 -30.82 25.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.401 ' HA ' ' HE3' ' A' ' 52' ' ' MET . 36.8 m -57.63 -26.29 61.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.132 179.854 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.65 -43.92 21.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.471 -179.56 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.1 pp -81.63 -7.55 59.6 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -179.602 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.924 HD22 ' HB3' ' A' ' 51' ' ' LEU . 80.3 mt -91.49 5.78 48.14 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.856 0.36 . . . . 0.0 110.988 179.335 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.52 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 7.1 t-80 -89.99 131.97 37.62 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.285 179.81 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.52 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 11.7 Cg_endo -55.77 -14.99 11.8 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.478 2.119 . . . . 0.0 112.716 -179.815 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -80.1 -22.34 42.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.812 0.339 . . . . 0.0 111.066 179.704 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -109.02 30.06 6.92 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.847 -179.909 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 69.07 45.03 63.88 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.564 179.859 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -122.17 168.04 14.75 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.551 179.867 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.76 ' CB ' HD13 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -90.12 158.2 17.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.816 0.341 . . . . 0.0 110.9 -179.989 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -83.24 -50.75 8.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.874 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.54 ' HB1' ' OE2' ' A' ' 54' ' ' GLU . . . -55.2 -23.63 23.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.384 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.924 ' HB3' HD22 ' A' ' 41' ' ' LEU . 6.3 mp -66.72 -54.25 24.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.346 -179.768 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.401 ' HE3' ' HA ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -61.99 -52.92 62.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.647 -179.413 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.409 ' CG ' ' HA ' ' A' ' 50' ' ' ALA . 1.2 pp0? -58.84 -29.08 66.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.625 -179.375 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.54 ' OE2' ' HB1' ' A' ' 50' ' ' ALA . 20.6 mt-10 -81.93 -41.19 21.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 0.0 111.009 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.774 HD11 HD11 ' A' ' 17' ' ' LEU . 36.3 tp -57.03 -49.45 75.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.403 -179.524 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -58.1 -38.15 75.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.371 . . . . 0.0 111.196 -179.789 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.14 -46.22 78.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.179 -179.826 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.517 HD23 ' CD2' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -70.86 -25.53 62.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.229 -179.804 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.685 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 69.2 t-105 -88.66 -20.3 25.07 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.4 -179.941 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.51 -63.66 2.43 Favored Glycine 0 C--N 1.333 0.407 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.268 179.296 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.563 ' CG2' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -53.45 -50.47 65.22 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 179.25 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.54 ' N ' ' CG2' ' A' ' 61' ' ' THR . 2.1 t80 -43.68 -51.55 7.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 113.619 -1.628 . . . . 0.0 109.185 177.549 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.685 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 0.4 OUTLIER -56.75 -44.46 81.74 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 113.974 -1.466 . . . . 0.0 111.24 179.235 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.8 m -47.79 -36.31 11.49 Favored 'General case' 0 CA--C 1.521 -0.154 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.232 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.49 -31.97 22.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.576 178.297 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.872 ' HA ' HD23 ' A' ' 69' ' ' LEU . 44.9 t -51.86 -43.0 34.21 Favored 'Isoleucine or valine' 0 C--O 1.231 0.094 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.947 179.861 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -28.55 68.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.978 0.418 . . . . 0.0 110.095 179.398 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -91.04 -26.9 18.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.451 179.919 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.872 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -67.85 -28.07 67.23 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-O 120.654 0.264 . . . . 0.0 110.867 -179.592 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 53.7 mtp180 -82.86 1.18 40.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.173 0.511 . . . . 0.0 111.443 179.676 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.1 mtt -114.61 -28.5 7.12 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.049 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -89.17 -10.7 46.17 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.495 -179.874 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.6 tp -102.98 -21.43 13.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.753 0.311 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.44 -159.59 37.04 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.518 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -125.85 91.08 0.39 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.486 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -63.36 156.34 26.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.764 0.316 . . . . 0.0 110.953 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 159.87 46.71 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.406 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -74.85 117.56 16.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.807 0.337 . . . . 0.0 110.837 -179.798 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.824 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.995 0.426 . . . . 0.0 111.248 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -171.08 -41.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.532 -179.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.67 77.2 1.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.716 179.894 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 31.5 m -139.13 125.16 23.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.046 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.805 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER -89.2 144.58 26.01 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.336 0.588 . . . . 0.0 112.479 179.922 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.445 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 80.8 p -90.38 -178.58 5.39 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.12 -179.613 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.1 -37.18 53.29 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.424 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.56 -47.99 71.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.32 -179.862 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.805 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 39.7 m-20 -68.49 -52.77 28.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.206 -179.641 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.557 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -56.45 -34.68 67.09 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.052 0.453 . . . . 0.0 109.987 179.561 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.409 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 1.6 mm-40 -68.81 -33.02 73.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.489 178.68 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.4 ' HB3' ' O ' ' A' ' 9' ' ' ASP . 19.5 ttt85 -63.89 -34.85 78.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.764 179.163 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.717 ' O ' HD23 ' A' ' 17' ' ' LEU . 3.7 tp -64.52 -36.1 83.09 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.755 179.091 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.748 HD22 ' O ' ' A' ' 19' ' ' LEU . 12.1 mt -66.79 -35.35 79.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.96 179.76 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.07 -51.82 68.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.724 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.443 ' HB2' HD13 ' A' ' 55' ' ' LEU . 3.7 mm? -73.27 -12.16 60.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.75 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.717 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.6 mm? -90.29 -9.44 47.87 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -179.603 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.444 ' HD3' ' NE2' ' A' ' 37' ' ' GLN . 0.0 OUTLIER 54.3 20.07 2.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.371 0.605 . . . . 0.0 109.823 -178.614 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.781 HD13 ' HA ' ' A' ' 30' ' ' MET . 2.9 tt -111.9 110.02 54.68 Favored Pre-proline 0 N--CA 1.45 -0.471 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.748 -179.219 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.461 ' O ' HD13 ' A' ' 23' ' ' LEU . 79.0 Cg_exo -47.16 168.0 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.756 2.304 . . . . 0.0 113.375 -178.787 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.551 ' HG3' HD13 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -90.4 -4.99 56.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.105 179.393 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.29 -24.45 46.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.247 -179.197 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.757 ' CD2' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -111.69 11.84 21.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.09 179.794 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.553 ' HE3' HD21 ' A' ' 14' ' ' LEU . 51.2 t-105 -51.26 116.5 2.07 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.383 179.7 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 137.33 -28.21 2.8 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.631 -0.795 . . . . 0.0 113.069 179.598 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.436 ' O ' ' HG2' ' A' ' 30' ' ' MET . 3.7 t70 -72.88 87.04 1.29 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.75 0.309 . . . . 0.0 111.112 -179.584 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.53 ' CE1' HG11 ' A' ' 66' ' ' VAL . 12.5 t80 -45.46 -42.45 10.54 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.819 -179.864 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.3 -36.92 94.06 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.831 -0.699 . . . . 0.0 113.542 -179.159 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.426 ' HB2' ' HB3' ' A' ' 26' ' ' ASP . 0.2 OUTLIER -82.01 -38.55 24.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.858 0.329 . . . . 0.0 111.657 -179.244 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.781 ' HA ' HD13 ' A' ' 19' ' ' LEU . 12.0 ptp -69.26 -46.4 67.37 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 121.049 -0.26 . . . . 0.0 110.952 -179.866 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.401 ' N ' ' HG3' ' A' ' 30' ' ' MET . 50.4 tt0 -62.75 -38.7 91.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.355 . . . . 0.0 110.161 179.593 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -60.18 -39.65 87.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.936 179.264 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.443 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -73.09 -40.48 64.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.451 179.304 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.478 ' CE2' ' CB ' ' A' ' 59' ' ' TRP . 15.4 t80 -53.08 -53.47 49.78 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.88 179.692 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.467 ' HE2' ' HD1' ' A' ' 34' ' ' TYR . 6.8 mmpt? -67.07 -27.78 67.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.931 179.762 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.91 -36.19 67.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.717 179.849 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.595 ' NE2' HD21 ' A' ' 40' ' ' LEU . 8.0 mm-40 -88.8 -22.94 22.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.975 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.8 m -66.95 -29.59 69.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.687 179.721 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 17.1 mt -70.9 -47.21 60.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.344 -179.73 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.595 HD21 ' NE2' ' A' ' 37' ' ' GLN . 3.1 pp -71.48 -15.68 62.33 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.987 -179.738 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.54 HD22 ' HB3' ' A' ' 51' ' ' LEU . 16.7 mt -95.62 -9.11 33.02 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 120.73 0.3 . . . . 0.0 110.447 178.488 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.507 ' ND1' ' HD2' ' A' ' 43' ' ' PRO . 7.6 t60 -60.74 142.62 91.77 Favored Pre-proline 0 CA--C 1.531 0.231 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.46 179.702 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.507 ' HD2' ' ND1' ' A' ' 42' ' ' HIS . 35.3 Cg_endo -66.65 -10.49 28.23 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.438 2.092 . . . . 0.0 113.273 -179.392 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.94 -20.91 32.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.714 0.292 . . . . 0.0 110.894 179.695 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -107.35 27.98 8.55 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.875 0.369 . . . . 0.0 110.713 179.702 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.19 22.86 72.73 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.541 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -91.24 155.64 23.67 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.535 179.876 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.575 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -82.27 152.13 26.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.769 0.319 . . . . 0.0 110.855 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -78.79 -51.92 9.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.782 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.404 ' HA ' ' HG2' ' A' ' 53' ' ' GLN . . . -49.66 -30.25 8.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.772 -179.817 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.575 HD13 ' HB2' ' A' ' 48' ' ' SER . 0.4 OUTLIER -74.16 -52.19 13.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.322 -179.545 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -35.75 74.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.512 -179.412 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.404 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 8.1 pt20 -76.66 -28.44 56.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.117 -179.733 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.58 -46.11 70.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.843 0.354 . . . . 0.0 110.77 179.826 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.642 HD11 ' CD2' ' A' ' 17' ' ' LEU . 5.3 tp -70.96 -33.94 70.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.745 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.86 -31.99 70.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.66 179.757 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.04 -42.25 32.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.505 HD22 ' O ' ' A' ' 9' ' ' ASP . 3.2 mt -68.78 -29.03 67.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.884 179.925 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.573 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 69.8 t-105 -90.05 -20.61 23.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.072 179.558 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.427 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -74.43 -62.06 3.0 Favored Glycine 0 C--N 1.336 0.565 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.09 179.341 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.555 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -55.02 -50.17 69.7 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 179.112 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.555 ' N ' ' CG2' ' A' ' 61' ' ' THR . 3.1 t80 -44.71 -51.41 9.3 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 113.366 -1.743 . . . . 0.0 109.43 178.051 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.573 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 1.1 ttmt -55.47 -35.68 65.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.281 -1.327 . . . . 0.0 111.045 179.482 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.3 m -47.77 -39.64 18.56 Favored 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.268 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -85.24 -30.39 23.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.686 178.508 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.756 ' HA ' HD23 ' A' ' 69' ' ' LEU . 76.5 t -56.16 -51.88 57.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.146 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -54.13 -29.32 44.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.126 0.488 . . . . 0.0 110.296 179.177 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -90.94 -22.19 20.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.639 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.756 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.4 OUTLIER -65.53 -29.25 69.86 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 120.82 0.343 . . . . 0.0 110.407 -179.564 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.461 ' HA ' ' HA3' ' A' ' 74' ' ' GLY . 2.5 mtp180 -76.44 0.9 18.04 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.833 -179.699 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 18.1 mtt -99.13 -20.74 16.5 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.766 179.648 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -101.21 -63.97 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.97 -11.53 26.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.518 -179.731 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.461 ' HA3' ' HA ' ' A' ' 70' ' ' ARG . . . -81.05 -124.6 0.64 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.592 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -160.58 -126.34 0.83 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.573 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.66 138.62 38.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.952 0.406 . . . . 0.0 110.959 -179.892 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -170.02 -32.41 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.567 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -50.02 166.13 0.07 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.989 0.423 . . . . 0.0 111.362 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.808 179.785 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mmm . . . . . 0 N--CA 1.489 1.498 0 CA-C-O 120.751 0.31 . . . . 0.0 111.259 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -58.93 120.3 8.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.776 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -140.3 79.23 1.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.879 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 24.6 m -139.3 123.11 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.132 0.491 . . . . 0.0 111.623 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.819 HD12 ' HB3' ' A' ' 9' ' ' ASP . 1.6 pt? -85.48 149.88 25.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.273 179.318 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.7 p -90.11 -178.17 5.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.029 0.442 . . . . 0.0 111.875 -178.544 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.43 ' HA ' ' CG ' ' A' ' 10' ' ' LYS . 31.3 ttm180 -53.99 -33.13 56.19 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.606 179.702 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.36 -45.3 80.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.131 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.819 ' HB3' HD12 ' A' ' 5' ' ' LEU . 9.1 m-20 -68.15 -55.43 12.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.259 -179.84 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.43 ' CG ' ' HA ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -55.26 -38.67 68.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.942 0.401 . . . . 0.0 110.544 -179.787 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -72.65 -30.34 64.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.188 179.124 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.79 -31.22 56.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.082 179.432 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.504 HD21 ' CE2' ' A' ' 62' ' ' PHE . 2.9 tp -65.01 -35.12 80.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.077 179.252 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.763 HD22 ' O ' ' A' ' 19' ' ' LEU . 13.6 mt -66.98 -49.41 65.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.98 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -59.85 -21.97 61.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.156 -179.923 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 37.6 mt -89.95 -34.11 16.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.747 0.308 . . . . 0.0 111.312 -179.866 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.673 ' CD1' HD11 ' A' ' 55' ' ' LEU . 9.1 mp -84.51 0.67 48.94 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -179.784 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.96 18.05 1.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.205 0.526 . . . . 0.0 110.577 -179.277 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.763 ' O ' HD22 ' A' ' 14' ' ' LEU . 2.2 tt -99.9 110.71 60.16 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.255 -179.661 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.501 ' CB ' HD21 ' A' ' 23' ' ' LEU . 42.1 Cg_exo -50.81 -179.81 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.779 2.319 . . . . 0.0 112.964 -178.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.98 -25.25 24.38 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.517 -179.827 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.47 -10.39 11.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.897 -179.787 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.765 HD23 ' N ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -126.17 14.91 7.85 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.746 0.308 . . . . 0.0 110.85 179.708 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.712 ' HE3' HD21 ' A' ' 14' ' ' LEU . 59.3 t-105 -51.62 93.07 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.652 179.57 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.22 -19.4 4.33 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.092 -179.343 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -61.27 82.67 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.763 0.315 . . . . 0.0 110.712 179.737 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.6 ' CE1' HG11 ' A' ' 66' ' ' VAL . 5.3 t80 -45.39 -32.37 2.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.411 -179.747 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.16 -35.22 64.2 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.93 -179.789 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.526 ' HB3' HD12 ' A' ' 19' ' ' LEU . 26.4 mmt180 -85.44 -48.85 8.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.737 0.303 . . . . 0.0 111.406 -179.642 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.542 ' CA ' HD13 ' A' ' 19' ' ' LEU . 8.7 ptp -59.62 -47.7 84.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.94 -179.845 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -64.47 -45.01 89.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.831 0.348 . . . . 0.0 110.529 179.681 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -61.52 -37.39 83.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.264 179.501 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.39 -34.76 47.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.533 179.61 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.431 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 10.2 t80 -58.06 -45.14 87.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.265 179.591 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.8 -34.98 74.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.413 179.663 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -70.5 -34.84 72.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.475 179.619 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.744 ' O ' HD12 ' A' ' 41' ' ' LEU . 99.3 mm-40 -83.6 -19.94 34.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.735 179.672 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.6 m -73.54 -34.6 65.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.68 179.673 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.7 mt -65.1 -40.93 95.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.826 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.7 pp -80.59 -12.65 59.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 179.794 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.744 HD12 ' O ' ' A' ' 37' ' ' GLN . 8.6 mt -95.5 -2.67 48.17 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.269 179.543 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.486 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 4.6 t60 -75.84 141.52 71.94 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.623 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.486 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 26.2 Cg_endo -63.06 -9.67 17.87 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.809 2.339 . . . . 0.0 113.434 -179.327 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.6 -24.33 27.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.643 0.258 . . . . 0.0 111.217 179.906 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.27 24.01 9.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.801 0.334 . . . . 0.0 111.158 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.84 -10.83 61.42 Favored Glycine 0 CA--C 1.52 0.37 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.883 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.36 164.67 29.02 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.583 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.481 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -90.2 154.85 19.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.917 0.389 . . . . 0.0 110.934 -179.948 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.436 ' CE1' ' HG3' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -83.28 -38.08 22.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.885 -179.98 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.66 -23.0 66.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.457 -179.787 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.481 HD13 ' HB2' ' A' ' 48' ' ' SER . 2.4 mp -82.27 -51.67 7.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.111 -179.755 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 10.8 tpt -55.21 -45.12 75.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.234 -179.789 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.84 -28.0 68.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.16 -45.74 38.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.673 HD11 ' CD1' ' A' ' 17' ' ' LEU . 15.0 tp -54.11 -56.18 20.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.231 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -55.55 -39.41 70.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.825 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.08 -33.9 75.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.656 179.777 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.569 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 14.2 mt -83.22 -22.24 33.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.814 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.535 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 66.6 t-105 -89.04 -18.56 27.08 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 179.425 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.448 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -77.43 -60.86 2.73 Favored Glycine 0 C--N 1.337 0.604 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.702 179.037 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.645 HG23 HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -54.74 -50.99 67.04 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 178.878 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.56 ' N ' ' CG2' ' A' ' 61' ' ' THR . 1.2 t80 -43.78 -50.99 7.59 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 113.42 -1.718 . . . . 0.0 109.534 178.084 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.576 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 2.9 ttmt -55.96 -39.9 72.44 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.199 -1.364 . . . . 0.0 111.098 179.783 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.7 m -46.91 -38.49 10.58 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.275 0.56 . . . . 0.0 109.533 179.177 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -85.5 -31.61 22.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.7 178.547 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.773 ' HA ' HD23 ' A' ' 69' ' ' LEU . 50.3 t -53.44 -47.05 59.46 Favored 'Isoleucine or valine' 0 C--O 1.231 0.083 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -60.19 -30.14 69.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.727 179.798 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 43.4 m-20 -90.65 -22.29 21.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.654 -179.832 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.773 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -57.77 -31.68 66.76 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.837 0.351 . . . . 0.0 110.722 -179.334 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.9 mtp-105 -82.98 1.47 39.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.728 -179.901 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -105.11 -25.67 12.41 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.999 179.906 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -75.65 137.57 40.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.921 179.906 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.3 mp -108.53 26.74 10.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.185 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -88.17 147.07 20.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.527 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -159.52 -133.43 1.51 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.547 -179.939 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.41 HG23 ' H ' ' A' ' 77' ' ' GLY . 1.5 t -124.1 -53.79 1.72 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.796 0.331 . . . . 0.0 110.983 179.883 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.41 ' H ' HG23 ' A' ' 76' ' ' THR . . . 61.05 -99.25 0.19 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.62 179.849 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -87.33 115.27 24.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.924 0.392 . . . . 0.0 111.096 -179.735 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.885 179.778 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.3 mtm . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 120.881 0.372 . . . . 0.0 111.326 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -74.57 128.08 34.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.884 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -94.77 88.6 5.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.782 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.9 m -133.18 125.79 51.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.229 0.538 . . . . 0.0 111.277 179.769 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.832 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.4 pt? -90.32 148.79 22.64 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.917 -179.875 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.7 p -89.09 -171.57 3.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.234 -179.365 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.85 -38.07 81.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.389 179.712 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.99 -45.69 92.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.201 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.832 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 3.5 m-20 -60.16 -58.79 7.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.961 -179.944 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.558 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -58.6 -39.31 80.06 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.862 0.363 . . . . 0.0 110.442 -179.922 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.502 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 3.9 mm-40 -67.22 -36.43 81.66 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.418 179.603 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -76.41 -34.79 58.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.003 179.436 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.599 HD13 ' HB3' ' A' ' 58' ' ' LEU . 2.5 tp -60.78 -39.22 88.01 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.678 179.051 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.715 HD21 ' HE3' ' A' ' 24' ' ' TRP . 26.8 mt -64.14 -45.25 89.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.666 179.701 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -57.02 -25.63 58.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.45 ' HB3' HD13 ' A' ' 55' ' ' LEU . 4.5 mt -90.06 -30.68 17.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.721 179.801 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.835 ' CD1' HD11 ' A' ' 55' ' ' LEU . 8.6 mp -85.4 1.34 49.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.995 179.575 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.95 20.52 1.69 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.362 0.601 . . . . 0.0 109.748 -178.656 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.811 HD13 ' HA ' ' A' ' 30' ' ' MET . 4.4 tt -107.77 108.98 62.12 Favored Pre-proline 0 N--CA 1.449 -0.504 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.204 -179.003 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.416 ' O ' HD13 ' A' ' 23' ' ' LEU . 53.5 Cg_exo -51.66 170.91 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.632 2.221 . . . . 0.0 113.009 -179.032 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.74 -7.07 55.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.07 179.236 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.8 tm0? -73.34 -32.24 64.44 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 -179.365 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.707 HD21 ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -104.06 13.12 33.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.077 179.836 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.715 ' HE3' HD21 ' A' ' 14' ' ' LEU . 62.8 t-105 -54.47 100.52 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.082 179.422 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.28 -26.22 0.88 Allowed Glycine 0 CA--C 1.52 0.386 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.903 179.827 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.409 ' O ' ' HG2' ' A' ' 30' ' ' MET . 17.4 t70 -79.81 95.39 6.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.689 0.281 . . . . 0.0 111.026 -179.762 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.786 ' CE1' HG11 ' A' ' 66' ' ' VAL . 42.6 t80 -52.14 -34.36 44.24 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.734 -179.6 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.01 -29.15 72.45 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.701 -0.761 . . . . 0.0 113.101 -179.33 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.401 ' HG3' HD12 ' A' ' 19' ' ' LEU . 3.9 tpt180 -87.11 -28.22 22.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.78 0.29 . . . . 0.0 111.75 -179.415 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.811 ' HA ' HD13 ' A' ' 19' ' ' LEU . 14.9 ptp -79.15 -42.47 26.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.682 -0.236 . . . . 0.0 110.885 179.867 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -68.9 -41.63 77.96 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 179.492 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -62.53 -42.24 99.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.053 0.454 . . . . 0.0 109.921 179.045 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.34 -37.02 63.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.564 179.553 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.459 ' CE2' ' CB ' ' A' ' 59' ' ' TRP . 12.5 t80 -60.69 -53.13 61.15 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.49 179.627 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.8 -36.53 81.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.36 179.64 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.38 -27.36 67.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.634 179.693 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.718 ' HA ' HD23 ' A' ' 40' ' ' LEU . 86.2 mm-40 -88.81 -22.7 23.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.682 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.2 m -71.21 -24.72 62.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.494 179.313 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.522 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 3.3 mt -74.28 -22.52 59.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.563 -179.706 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.718 HD23 ' HA ' ' A' ' 37' ' ' GLN . 1.4 pp -89.54 -24.36 21.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.713 0.292 . . . . 0.0 110.96 -179.842 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.493 HD22 ' HB3' ' A' ' 51' ' ' LEU . 4.5 mt -95.09 12.87 27.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.12 179.549 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.492 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 34.9 t-80 -82.96 132.16 51.84 Favored Pre-proline 0 CA--C 1.53 0.203 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.765 179.94 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.492 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 78.0 Cg_exo -41.91 -30.7 1.24 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.238 2.625 . . . . 0.0 114.422 -179.097 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.18 -18.31 50.02 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.123 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.522 ' HG3' ' O ' ' A' ' 39' ' ' LEU . 11.8 mmtm -109.49 31.17 5.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.974 0.416 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 60.43 73.93 0.43 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.452 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -138.71 154.0 22.91 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.581 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.23 149.89 22.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.772 0.32 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -75.44 -43.64 48.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.711 179.821 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.47 -23.93 18.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.252 179.853 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.493 ' HB3' HD22 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -86.71 -49.17 7.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.979 -179.99 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -42.43 81.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.207 -179.851 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -30.67 64.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.129 -179.925 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -69.64 -47.35 63.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.667 179.779 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.835 HD11 ' CD1' ' A' ' 17' ' ' LEU . 58.4 tp -62.98 -41.76 99.65 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.738 179.9 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -63.22 -41.34 99.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.674 179.698 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.0 p -65.52 -28.2 69.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.563 179.677 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.615 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 10.3 mt -83.02 -26.33 31.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.557 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 69.7 t-105 -89.0 -15.97 32.84 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 110.027 -0.361 . . . . 0.0 110.027 179.428 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -79.07 -62.4 2.22 Favored Glycine 0 C--N 1.335 0.511 0 C-N-CA 121.017 -0.611 . . . . 0.0 111.829 179.086 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.677 HG23 HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -54.63 -50.29 68.47 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 178.991 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.511 ' N ' ' CG2' ' A' ' 61' ' ' THR . 1.7 t80 -44.59 -49.32 10.23 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 113.584 -1.644 . . . . 0.0 109.644 178.15 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.557 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 2.2 ttmt -60.24 -37.23 79.71 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.171 -1.377 . . . . 0.0 111.218 179.809 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 43.1 m -46.05 -38.42 7.9 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-O 121.416 0.627 . . . . 0.0 109.492 179.28 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -85.56 -32.5 22.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.762 178.584 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.908 ' HA ' HD23 ' A' ' 69' ' ' LEU . 70.8 t -55.68 -47.97 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.935 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -55.16 -29.58 58.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.963 0.411 . . . . 0.0 110.293 179.423 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -90.88 -22.02 21.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.636 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.908 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -68.28 -14.2 62.81 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 120.753 0.311 . . . . 0.0 110.927 -179.601 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -90.83 1.37 57.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.058 0.456 . . . . 0.0 111.323 179.674 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 32.5 mtm -120.42 -26.53 5.38 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.525 -0.762 . . . . 0.0 111.319 -179.864 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -100.95 -24.63 14.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.838 0.352 . . . . 0.0 111.069 -179.937 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.416 ' HB2' ' O ' ' A' ' 69' ' ' LEU . 4.0 mp -116.1 -30.94 5.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.933 179.777 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.52 -124.13 6.54 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.468 179.94 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -124.95 -168.83 12.86 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.402 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.8 m -76.96 120.03 21.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.883 0.373 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -113.89 -41.02 0.94 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.486 -179.938 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -75.4 99.44 4.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.889 0.376 . . . . 0.0 110.697 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.79 -179.891 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mpp? . . . . . 0 N--CA 1.486 1.341 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -71.86 144.35 49.1 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.972 0.415 . . . . 0.0 110.945 179.885 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -95.15 88.21 5.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.756 -179.824 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 19.3 m -134.13 128.07 52.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 121.178 0.514 . . . . 0.0 111.652 -179.912 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.756 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.6 pt? -82.41 151.9 26.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.041 179.905 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.404 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 55.8 p -90.39 -178.99 5.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.459 -179.21 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.439 ' HG2' ' N ' ' A' ' 8' ' ' ALA . 0.1 OUTLIER -55.47 -30.95 61.52 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.889 179.525 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.439 ' N ' ' HG2' ' A' ' 7' ' ' ARG . . . -67.99 -43.58 78.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.126 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.756 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 2.0 m-20 -66.49 -57.85 6.47 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.24 -179.815 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.491 ' CD ' ' HG2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -54.13 -45.0 71.82 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.155 -179.223 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.491 ' HG2' ' CD ' ' A' ' 10' ' ' LYS . 3.8 mm-40 -67.86 -28.2 67.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.914 0.387 . . . . 0.0 110.148 179.075 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.0 ttt-85 -77.77 -42.32 34.42 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.415 179.596 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.459 ' O ' HD23 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -59.19 -30.38 68.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.11 179.222 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.704 HD22 ' O ' ' A' ' 19' ' ' LEU . 13.6 mt -66.9 -37.85 85.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.641 179.503 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -59.72 -42.44 93.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.433 179.835 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 mp -78.61 -16.93 56.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.87 179.59 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.502 ' CD2' HD11 ' A' ' 55' ' ' LEU . 0.8 OUTLIER -89.99 -6.58 55.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.666 -179.964 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 51.89 21.65 1.52 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.453 0.644 . . . . 0.0 109.863 -178.83 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.754 HD13 ' HA ' ' A' ' 30' ' ' MET . 4.6 tt -112.58 113.12 50.83 Favored Pre-proline 0 N--CA 1.45 -0.455 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.375 -179.09 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.422 ' O ' HD13 ' A' ' 23' ' ' LEU . 78.4 Cg_exo -47.07 166.08 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.761 2.307 . . . . 0.0 113.458 -178.567 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.417 ' HG2' HD12 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -90.17 -3.86 57.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.097 179.705 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -77.64 -34.01 53.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.055 0.455 . . . . 0.0 110.997 -179.252 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.67 HD22 ' C ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -101.16 11.6 39.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.478 -179.817 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.655 ' HE3' HD21 ' A' ' 14' ' ' LEU . 41.9 t-105 -52.13 101.99 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.326 179.713 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.23 -25.06 0.69 Allowed Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.614 -0.803 . . . . 0.0 113.118 179.745 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.479 ' HB3' ' HB2' ' A' ' 29' ' ' ARG . 6.0 t70 -78.4 86.21 4.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.694 0.247 . . . . 0.0 111.295 -179.595 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.828 ' CD1' HG11 ' A' ' 66' ' ' VAL . 13.2 t80 -44.28 -44.76 8.25 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.635 -179.908 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.93 -35.71 87.82 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.749 -179.793 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.479 ' HB2' ' HB3' ' A' ' 26' ' ' ASP . 10.0 ttt-85 -75.57 -54.08 7.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.751 0.31 . . . . 0.0 111.182 -179.625 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.754 ' HA ' HD13 ' A' ' 19' ' ' LEU . 13.0 ptp -58.22 -45.93 86.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.241 -179.713 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -58.68 -37.55 76.28 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.901 0.381 . . . . 0.0 110.302 179.63 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.61 -40.94 98.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.211 179.346 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.478 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -72.94 -38.04 66.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.459 179.5 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.443 ' CE2' ' CB ' ' A' ' 59' ' ' TRP . 10.8 t80 -54.85 -42.39 71.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.389 179.636 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -71.66 -29.91 65.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.793 179.815 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -66.12 -44.55 83.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.99 -179.712 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.434 ' HA ' HD21 ' A' ' 40' ' ' LEU . 2.9 mm-40 -84.92 -21.55 29.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.107 -179.948 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.9 -30.61 70.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.899 179.801 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 mt -73.79 -31.71 63.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.054 -179.785 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.499 HD12 ' HG ' ' A' ' 41' ' ' LEU . 1.7 pp -89.32 -12.89 39.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.612 -179.732 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.575 HD22 ' HB3' ' A' ' 51' ' ' LEU . 20.7 mt -94.88 -11.01 29.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.775 0.321 . . . . 0.0 110.814 179.577 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.578 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 3.2 t-80 -66.05 132.77 94.65 Favored Pre-proline 0 C--N 1.332 -0.173 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.508 179.594 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.578 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 19.6 Cg_endo -58.3 -12.42 13.29 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.629 2.22 . . . . 0.0 113.164 -179.59 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.46 -21.71 35.49 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.656 0.265 . . . . 0.0 111.295 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -109.98 28.88 8.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.85 0.357 . . . . 0.0 111.103 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.98 -11.03 63.59 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 0.0 113.039 179.69 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.94 163.37 29.64 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.631 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.508 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.9 OUTLIER -90.32 154.67 19.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.746 0.308 . . . . 0.0 110.643 179.94 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.44 ' CD2' ' HG3' ' A' ' 43' ' ' PRO . 0.5 OUTLIER -80.2 -41.82 24.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.853 179.941 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.52 -27.94 68.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.492 -179.791 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.575 ' HB3' HD22 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -78.71 -51.11 10.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.013 -179.878 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.8 tpt -57.74 -43.46 85.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.086 -179.899 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -67.0 -33.19 75.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.761 -179.936 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -60.24 -51.25 70.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 -179.925 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.502 HD11 ' CD2' ' A' ' 17' ' ' LEU . 4.7 tp -64.03 -35.99 82.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.941 -179.906 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -61.76 -30.56 70.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.953 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.33 -34.51 25.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.236 -179.872 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.605 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 8.0 mt -77.23 -22.8 51.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.333 -179.659 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.59 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 63.5 t-105 -90.5 -21.48 21.81 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.831 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.505 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -76.66 -61.47 2.73 Favored Glycine 0 C--N 1.336 0.573 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 178.907 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.725 HG23 HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -52.58 -49.85 64.17 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 178.628 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.534 ' HB2' ' O ' ' A' ' 58' ' ' LEU . 4.1 t80 -45.34 -50.67 11.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 113.404 -1.725 . . . . 0.0 109.444 178.016 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.59 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 1.4 ttmt -56.78 -34.67 67.85 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.143 -1.389 . . . . 0.0 111.097 179.414 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.459 ' HB ' ' O ' ' A' ' 61' ' ' THR . 66.8 m -49.58 -36.2 23.21 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.887 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -85.73 -30.66 22.93 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.421 178.319 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.828 HG11 ' CD1' ' A' ' 27' ' ' PHE . 87.0 t -60.86 -35.23 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.028 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -65.17 -37.37 87.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.867 179.856 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -90.25 -13.03 36.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.584 -179.903 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.789 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -62.14 -34.77 77.01 Favored 'General case' 0 N--CA 1.461 0.104 0 CA-C-O 121.029 0.442 . . . . 0.0 110.049 -179.753 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -84.57 1.31 46.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.35 179.853 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.1 mtt -104.1 -21.1 13.63 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.154 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -90.45 -73.0 0.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.859 0.361 . . . . 0.0 110.822 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 17.1 tp -121.21 -37.86 2.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.997 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.75 41.14 8.39 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.48 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.21 -128.69 8.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.463 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.2 p -78.42 142.98 37.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.876 0.37 . . . . 0.0 110.817 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -71.68 -38.39 61.23 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.536 179.877 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -89.12 110.02 20.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.785 0.326 . . . . 0.0 110.97 -179.931 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.452 179.68 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.789 0.328 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.418 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 17.2 p-10 -143.39 -56.72 0.4 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.004 179.902 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.95 67.6 1.33 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.898 0.38 . . . . 0.0 110.521 179.824 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 4' ' ' VAL . 24.8 m -138.21 120.18 18.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.375 0.607 . . . . 0.0 111.257 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.824 ' HB3' HG21 ' A' ' 61' ' ' THR . 1.3 pt? -84.04 140.39 31.88 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.618 179.877 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.2 p -76.08 -178.22 4.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.165 -179.174 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.28 -37.46 69.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.815 179.822 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.45 -44.03 88.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.416 -179.792 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.766 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 8.7 m-20 -63.46 -58.18 7.85 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.24 -179.676 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -58.28 -32.83 68.78 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.863 0.363 . . . . 0.0 110.655 -179.825 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.414 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.8 OUTLIER -71.67 -33.37 68.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.988 179.098 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.9 -31.4 69.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.274 179.46 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.774 ' O ' HD23 ' A' ' 17' ' ' LEU . 5.5 tp -65.75 -37.28 85.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.956 179.229 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.869 HD22 ' O ' ' A' ' 19' ' ' LEU . 11.5 mt -66.85 -39.58 87.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.117 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -54.26 -52.98 59.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.817 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.779 HD21 HD23 ' A' ' 51' ' ' LEU . 3.4 mt -73.84 -12.14 60.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.044 179.745 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.774 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.3 mm? -90.2 -12.91 36.69 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -179.581 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 54.07 20.87 2.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.471 0.653 . . . . 0.0 109.915 -178.542 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.869 ' O ' HD22 ' A' ' 14' ' ' LEU . 2.4 tt -106.95 112.87 63.12 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.17 -178.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.435 ' HB2' HD12 ' A' ' 23' ' ' LEU . 71.9 Cg_exo -48.33 168.52 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.701 2.267 . . . . 0.0 113.522 -178.816 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.498 ' HG3' ' CD1' ' A' ' 14' ' ' LEU . 1.5 ttp180 -88.49 -2.8 58.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.577 179.856 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.49 -28.08 25.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.927 0.394 . . . . 0.0 111.595 -178.558 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.781 ' O ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -108.98 16.37 22.67 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.039 179.964 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.598 ' HE3' HD21 ' A' ' 14' ' ' LEU . 65.9 t-105 -51.29 -20.38 1.64 Allowed 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.569 179.37 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.31 -11.39 80.66 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 113.041 179.94 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -83.5 121.18 26.86 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.764 0.316 . . . . 0.0 111.022 -179.921 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -78.42 -45.23 22.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.304 -179.83 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.478 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -59.69 -31.77 72.25 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.921 -179.572 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.783 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -77.55 -48.05 17.95 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -179.363 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.852 ' HA ' HD13 ' A' ' 19' ' ' LEU . 7.5 ptp -56.36 -53.47 57.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.452 -179.406 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -61.08 -34.68 75.31 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.743 0.306 . . . . 0.0 110.757 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.478 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -59.21 -45.01 92.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.658 179.697 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.604 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -71.95 -36.68 69.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.807 179.792 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.475 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 8.0 t80 -54.54 -42.93 71.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.579 179.729 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -80.35 -33.44 37.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.74 179.777 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.9 tm0? -66.7 -36.22 81.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.872 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 62.5 mm-40 -87.22 -20.93 26.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.219 -179.89 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 85.2 p -67.44 -28.09 67.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.915 0.388 . . . . 0.0 110.613 179.416 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 17.2 mt -73.19 -33.9 65.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.189 -179.867 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.728 HD12 ' HG ' ' A' ' 41' ' ' LEU . 2.9 pp -84.97 -15.68 43.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.761 0.315 . . . . 0.0 110.955 179.68 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.728 ' HG ' HD12 ' A' ' 40' ' ' LEU . 12.7 mt -95.49 -14.29 23.81 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 120.927 0.394 . . . . 0.0 110.534 178.673 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.608 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 4.3 t-80 -61.22 147.16 87.41 Favored Pre-proline 0 CA--C 1.531 0.223 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.675 179.899 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.608 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 39.0 Cg_endo -67.95 -9.1 24.59 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.617 2.211 . . . . 0.0 113.357 -179.366 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.74 -23.75 21.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.676 0.274 . . . . 0.0 110.915 179.835 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.55 ' HD3' ' HB3' ' A' ' 42' ' ' HIS . 0.1 OUTLIER -101.83 30.93 4.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.818 0.342 . . . . 0.0 110.842 179.931 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.29 23.76 68.49 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.757 179.868 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -91.69 169.45 32.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.351 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.436 ' HB2' HD13 ' A' ' 51' ' ' LEU . 3.2 m -90.38 145.28 25.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 110.791 179.883 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.421 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 5.1 p-80 -80.51 -40.87 25.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.037 -179.796 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.1 -37.63 67.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.477 -179.85 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.779 HD23 HD21 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -66.97 -51.56 53.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.232 -179.782 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -31.72 39.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.226 -179.619 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 15.7 mm-40 -74.83 -38.22 62.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.972 0.415 . . . . 0.0 110.698 179.841 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -36.81 85.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.822 179.919 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.512 HD11 HD21 ' A' ' 17' ' ' LEU . 11.2 tp -67.49 -46.67 72.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -59.54 -24.42 63.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.167 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.8 t -78.46 -39.13 39.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.515 -179.627 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.641 HD22 HD12 ' A' ' 5' ' ' LEU . 81.0 mt -78.18 -28.39 48.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.294 -179.607 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.553 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 73.1 t-105 -83.45 -25.4 31.24 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.538 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.84 -61.65 3.96 Favored Glycine 0 C--N 1.334 0.448 0 C-N-CA 120.957 -0.639 . . . . 0.0 111.894 179.066 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.824 HG21 ' HB3' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -51.96 -49.54 62.99 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 178.58 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.525 ' N ' ' CG2' ' A' ' 61' ' ' THR . 1.2 t80 -46.97 -51.32 17.33 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 113.089 -1.869 . . . . 0.0 109.411 177.728 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.581 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 0.3 OUTLIER -60.18 -32.89 71.5 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 114.247 -1.342 . . . . 0.0 111.061 179.818 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.432 ' HB ' ' O ' ' A' ' 61' ' ' THR . 38.9 m -49.13 -37.36 21.7 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.056 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -85.6 -30.96 22.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.648 178.075 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 1.01 ' HA ' HD23 ' A' ' 69' ' ' LEU . 96.7 t -59.82 -35.86 62.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.929 179.868 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -67.7 -38.85 84.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.0 p30 -89.3 -14.87 34.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.593 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 1.01 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -58.54 -39.51 80.39 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.828 0.347 . . . . 0.0 110.486 179.937 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 63.3 mtm-85 -73.51 0.79 11.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.854 -179.82 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 27.6 mtp -108.45 -27.56 9.86 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.735 179.8 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -91.13 90.06 7.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.15 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.463 ' HG ' ' N ' ' A' ' 74' ' ' GLY . 1.4 pt? -141.91 -38.39 0.39 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 179.714 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.463 ' N ' ' HG ' ' A' ' 73' ' ' LEU . . . -140.53 -166.39 10.66 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.344 179.856 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 117.21 -99.66 0.84 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.587 179.903 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.1 p -72.2 113.65 9.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.761 0.315 . . . . 0.0 110.84 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -74.68 -43.64 28.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.299 179.841 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -89.63 98.92 12.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.844 0.354 . . . . 0.0 110.722 179.934 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.85 -179.955 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.789 0.328 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.418 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 17.2 p-10 -143.39 -56.72 0.4 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.004 179.902 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.95 67.6 1.33 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.898 0.38 . . . . 0.0 110.521 179.824 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 4' ' ' VAL . 24.8 m -138.21 120.18 18.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.375 0.607 . . . . 0.0 111.257 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.824 ' HB3' HG21 ' A' ' 61' ' ' THR . 1.3 pt? -84.04 140.39 31.88 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.618 179.877 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.2 p -76.08 -178.22 4.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.165 -179.174 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.28 -37.46 69.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.815 179.822 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.45 -44.03 88.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.416 -179.792 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.766 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 8.7 m-20 -63.46 -58.18 7.85 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.24 -179.676 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -58.28 -32.83 68.78 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.863 0.363 . . . . 0.0 110.655 -179.825 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.414 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.8 OUTLIER -71.67 -33.37 68.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.988 179.098 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.9 -31.4 69.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.274 179.46 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.774 ' O ' HD23 ' A' ' 17' ' ' LEU . 5.5 tp -65.75 -37.28 85.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.956 179.229 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.869 HD22 ' O ' ' A' ' 19' ' ' LEU . 11.5 mt -66.85 -39.58 87.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.117 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -54.26 -52.98 59.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.817 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.779 HD21 HD23 ' A' ' 51' ' ' LEU . 3.4 mt -73.84 -12.14 60.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.044 179.745 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.774 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.3 mm? -90.2 -12.91 36.69 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -179.581 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 54.07 20.87 2.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.471 0.653 . . . . 0.0 109.915 -178.542 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.869 ' O ' HD22 ' A' ' 14' ' ' LEU . 2.4 tt -106.95 112.87 63.12 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.17 -178.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.435 ' HB2' HD12 ' A' ' 23' ' ' LEU . 71.9 Cg_exo -48.33 168.52 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.701 2.267 . . . . 0.0 113.522 -178.816 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.498 ' HG3' ' CD1' ' A' ' 14' ' ' LEU . 1.5 ttp180 -88.49 -2.8 58.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.577 179.856 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.49 -28.08 25.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.927 0.394 . . . . 0.0 111.595 -178.558 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.781 ' O ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -108.98 16.37 22.67 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.039 179.964 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.598 ' HE3' HD21 ' A' ' 14' ' ' LEU . 65.9 t-105 -51.29 -20.38 1.64 Allowed 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.569 179.37 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.31 -11.39 80.66 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 113.041 179.94 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -83.5 121.18 26.86 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.764 0.316 . . . . 0.0 111.022 -179.921 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -78.42 -45.23 22.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.304 -179.83 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.478 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -59.69 -31.77 72.25 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.921 -179.572 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.783 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -77.55 -48.05 17.95 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -179.363 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.852 ' HA ' HD13 ' A' ' 19' ' ' LEU . 7.5 ptp -56.36 -53.47 57.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.452 -179.406 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -61.08 -34.68 75.31 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.743 0.306 . . . . 0.0 110.757 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.478 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -59.21 -45.01 92.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.658 179.697 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.604 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -71.95 -36.68 69.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.807 179.792 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.475 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 8.0 t80 -54.54 -42.93 71.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.579 179.729 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -80.35 -33.44 37.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.74 179.777 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.9 tm0? -66.7 -36.22 81.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.872 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 62.5 mm-40 -87.22 -20.93 26.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.219 -179.89 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 85.2 p -67.44 -28.09 67.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.915 0.388 . . . . 0.0 110.613 179.416 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 17.2 mt -73.19 -33.9 65.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.189 -179.867 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.728 HD12 ' HG ' ' A' ' 41' ' ' LEU . 2.9 pp -84.97 -15.68 43.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.761 0.315 . . . . 0.0 110.955 179.68 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.728 ' HG ' HD12 ' A' ' 40' ' ' LEU . 12.7 mt -95.49 -14.29 23.81 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 120.927 0.394 . . . . 0.0 110.534 178.673 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.608 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 4.3 t-80 -61.22 147.16 87.41 Favored Pre-proline 0 CA--C 1.531 0.223 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.675 179.899 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.608 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 39.0 Cg_endo -67.95 -9.1 24.59 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.617 2.211 . . . . 0.0 113.357 -179.366 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.74 -23.75 21.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.676 0.274 . . . . 0.0 110.915 179.835 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.55 ' HD3' ' HB3' ' A' ' 42' ' ' HIS . 0.1 OUTLIER -101.83 30.93 4.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.818 0.342 . . . . 0.0 110.842 179.931 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.29 23.76 68.49 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.757 179.868 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -91.69 169.45 32.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.351 179.912 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.436 ' HB2' HD13 ' A' ' 51' ' ' LEU . 3.2 m -90.38 145.28 25.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 110.791 179.883 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.421 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 5.1 p-80 -80.51 -40.87 25.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.037 -179.796 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.1 -37.63 67.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.477 -179.85 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.779 HD23 HD21 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -66.97 -51.56 53.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.232 -179.782 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -31.72 39.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.226 -179.619 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 15.7 mm-40 -74.83 -38.22 62.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.972 0.415 . . . . 0.0 110.698 179.841 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -36.81 85.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.822 179.919 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.512 HD11 HD21 ' A' ' 17' ' ' LEU . 11.2 tp -67.49 -46.67 72.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -59.54 -24.42 63.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.167 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.8 t -78.46 -39.13 39.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.515 -179.627 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.641 HD22 HD12 ' A' ' 5' ' ' LEU . 81.0 mt -78.18 -28.39 48.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.294 -179.607 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.553 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 73.1 t-105 -83.45 -25.4 31.24 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.538 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.84 -61.65 3.96 Favored Glycine 0 C--N 1.334 0.448 0 C-N-CA 120.957 -0.639 . . . . 0.0 111.894 179.066 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.824 HG21 ' HB3' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -51.96 -49.54 62.99 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 178.58 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.525 ' N ' ' CG2' ' A' ' 61' ' ' THR . 1.2 t80 -46.97 -51.32 17.33 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 113.089 -1.869 . . . . 0.0 109.411 177.728 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.581 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 0.3 OUTLIER -60.18 -32.89 71.5 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 114.247 -1.342 . . . . 0.0 111.061 179.818 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.432 ' HB ' ' O ' ' A' ' 61' ' ' THR . 38.9 m -49.13 -37.36 21.7 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.056 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -85.6 -30.96 22.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.648 178.075 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 1.01 ' HA ' HD23 ' A' ' 69' ' ' LEU . 96.7 t -59.82 -35.86 62.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.929 179.868 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -67.7 -38.85 84.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.0 p30 -89.3 -14.87 34.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.593 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 1.01 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -58.54 -39.51 80.39 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.828 0.347 . . . . 0.0 110.486 179.937 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 63.3 mtm-85 -73.51 0.79 11.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.854 -179.82 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 27.6 mtp -108.45 -27.56 9.86 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.735 179.8 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -91.13 90.06 7.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.15 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.463 ' HG ' ' N ' ' A' ' 74' ' ' GLY . 1.4 pt? -141.91 -38.39 0.39 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 179.714 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.463 ' N ' ' HG ' ' A' ' 73' ' ' LEU . . . -140.53 -166.39 10.66 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.344 179.856 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 117.21 -99.66 0.84 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.587 179.903 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.1 p -72.2 113.65 9.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.761 0.315 . . . . 0.0 110.84 -179.934 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -74.68 -43.64 28.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.299 179.841 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -89.63 98.92 12.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.844 0.354 . . . . 0.0 110.722 179.934 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.85 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.4 mtt . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.754 0.312 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -64.99 140.14 58.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -106.27 75.72 1.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.782 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 19.6 m -121.95 129.16 75.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 121.16 0.505 . . . . 0.0 111.138 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.826 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.5 pt? -87.46 151.22 23.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.232 -179.721 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.1 p -90.05 -176.9 5.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.557 -179.17 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -33.42 64.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.794 179.844 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.78 -46.52 71.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.458 -179.731 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.826 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 37.5 m-20 -59.52 -59.77 4.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.23 -179.699 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.649 ' N ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -53.39 -37.7 62.7 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 121.119 0.485 . . . . 0.0 110.141 179.918 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.414 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 4.8 tt0 -70.91 -34.7 71.8 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.931 178.949 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.478 ' O ' HD12 ' A' ' 16' ' ' LEU . 1.0 OUTLIER -73.66 -40.25 63.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.608 179.651 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.502 ' O ' HD13 ' A' ' 17' ' ' LEU . 2.6 tp -58.66 -40.57 83.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.694 179.666 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.759 HD11 ' CE3' ' A' ' 24' ' ' TRP . 48.8 mt -67.23 -41.82 85.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.144 179.933 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -54.55 -29.17 50.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.942 0.401 . . . . 0.0 110.45 179.757 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.633 ' CD2' HD23 ' A' ' 51' ' ' LEU . 1.3 mt -90.11 -23.98 21.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.945 179.673 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.614 HD11 HD11 ' A' ' 55' ' ' LEU . 8.9 mp -89.96 -2.41 58.15 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 179.823 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.422 ' HD3' ' OE1' ' A' ' 37' ' ' GLN . 0.3 OUTLIER 52.83 20.52 1.63 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.411 0.624 . . . . 0.0 110.018 -178.477 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.877 HD13 ' HA ' ' A' ' 30' ' ' MET . 3.0 tt -106.99 108.57 62.23 Favored Pre-proline 0 N--CA 1.448 -0.55 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.843 -179.418 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -49.26 174.34 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 123.166 2.578 . . . . 0.0 114.207 -178.471 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.47 ' HG3' ' CD1' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -89.8 -15.07 33.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.643 179.067 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -66.67 -34.54 78.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.59 -178.709 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.85 HD21 HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -103.14 8.37 38.64 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.205 -179.952 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.759 ' CE3' HD11 ' A' ' 14' ' ' LEU . 54.5 t-105 -53.88 90.31 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.241 179.438 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 169.09 -32.1 0.17 Allowed Glycine 0 CA--C 1.518 0.25 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.83 179.892 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -80.34 91.44 5.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.84 0.352 . . . . 0.0 111.153 -179.679 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.793 ' CE1' HG11 ' A' ' 66' ' ' VAL . 42.9 t80 -50.44 -39.55 47.89 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.458 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.64 -29.56 72.31 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.81 -179.782 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -83.14 -49.54 9.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.653 0.263 . . . . 0.0 111.212 -179.685 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.877 ' HA ' HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -66.22 -39.03 89.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.265 -179.986 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -65.08 -44.51 88.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.802 0.334 . . . . 0.0 110.633 179.714 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -62.06 -39.72 93.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.351 179.494 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.93 -28.77 63.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.656 179.562 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -60.48 -45.9 92.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.638 179.671 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -71.84 -27.97 63.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.97 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -72.53 -39.31 67.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.795 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.512 ' HA ' HD21 ' A' ' 40' ' ' LEU . 6.6 mm100 -75.03 -19.74 59.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.933 179.677 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.1 m -71.26 -30.01 65.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.784 179.856 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.9 mt -71.77 -31.95 67.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.32 -179.77 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.512 HD21 ' HA ' ' A' ' 37' ' ' GLN . 1.5 pp -89.05 -17.1 30.02 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.409 -179.668 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 50.9 mt -95.28 9.45 39.77 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.755 0.312 . . . . 0.0 110.844 178.926 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.535 ' HD2' ' HB2' ' A' ' 44' ' ' ASP . 37.4 t60 -88.76 132.09 39.57 Favored Pre-proline 0 CA--C 1.53 0.189 0 CA-C-O 120.915 0.388 . . . . 0.0 111.043 -179.739 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_exo -43.59 -31.38 3.19 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 123.17 2.58 . . . . 0.0 113.919 -179.474 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.535 ' HB2' ' HD2' ' A' ' 42' ' ' HIS . 0.8 OUTLIER -78.95 -19.29 52.09 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -179.287 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -114.87 31.06 6.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.879 0.371 . . . . 0.0 110.66 179.692 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 62.98 102.24 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.421 -179.821 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -175.78 164.57 34.8 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.444 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.467 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -90.05 153.88 20.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.938 0.399 . . . . 0.0 110.934 -179.808 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -83.08 -37.49 23.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.846 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.424 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -62.29 -28.19 69.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.227 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.633 HD23 ' CD2' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -74.49 -48.64 26.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.039 0.447 . . . . 0.0 110.808 -179.982 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -37.33 72.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.466 -179.644 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -81.2 -39.28 25.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.267 -179.653 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 0.5 OUTLIER -65.99 -32.96 74.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.949 0.404 . . . . 0.0 110.361 179.615 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.614 HD11 HD11 ' A' ' 17' ' ' LEU . 10.1 tp -67.76 -47.03 70.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.693 179.9 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -58.21 -43.5 87.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 179.931 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.49 -31.53 72.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.598 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 9.8 mt -81.11 -27.34 35.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.046 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.523 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 68.7 t-105 -87.38 -27.13 22.97 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.761 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.438 ' HA2' ' NZ ' ' A' ' 63' ' ' LYS . . . -68.26 -64.05 3.3 Favored Glycine 0 C--N 1.333 0.405 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.015 179.105 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.695 HG23 HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -51.4 -49.65 61.18 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 178.821 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.502 ' N ' ' CG2' ' A' ' 61' ' ' THR . 2.2 t80 -46.44 -51.57 14.87 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 113.412 -1.722 . . . . 0.0 109.43 178.058 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.574 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 0.1 OUTLIER -58.41 -35.64 72.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.331 -1.304 . . . . 0.0 111.108 179.811 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.446 ' HB ' ' O ' ' A' ' 61' ' ' THR . 58.4 m -50.51 -37.05 36.92 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 178.803 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -85.15 -30.76 23.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.499 178.541 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 1.042 ' HA ' HD23 ' A' ' 69' ' ' LEU . 72.9 t -55.38 -36.87 42.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.291 -179.891 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -67.88 -38.52 83.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.965 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -89.51 -10.2 47.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.846 -179.616 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 1.042 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -67.41 -35.37 79.15 Favored 'General case' 0 N--CA 1.461 0.102 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.886 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -77.44 0.76 21.38 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.49 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.08 -25.11 11.28 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.672 179.534 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 36.6 m-20 -60.63 93.69 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.029 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.77 87.27 7.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.773 179.873 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -115.97 50.55 0.78 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.675 -179.944 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -160.15 -106.82 0.22 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.494 179.934 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.0 m -67.24 150.95 48.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.359 . . . . 0.0 111.018 -179.952 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -175.78 36.27 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.503 -179.922 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -61.99 160.58 12.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 0.0 110.883 -179.865 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.782 179.978 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 ttm . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 120.924 0.392 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.2 129.76 37.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.792 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.3 85.52 4.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.604 179.732 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.6 m -137.27 125.2 32.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.177 0.513 . . . . 0.0 111.006 179.951 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.776 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.2 pt? -86.01 145.7 26.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.976 -179.749 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.9 p -89.99 -174.63 4.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.491 -179.182 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 7' ' ' ARG . 1.5 mmt-85 -55.74 -37.28 68.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.803 179.844 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.03 -39.29 93.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.429 -179.855 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.776 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 1.7 m-20 -69.96 -57.09 5.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.164 -179.796 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.504 ' HD3' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -54.44 -39.99 67.93 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.826 0.346 . . . . 0.0 110.781 -179.627 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.504 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 16.8 tp10 -70.73 -34.54 71.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.025 179.246 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.7 ttt85 -70.14 -40.53 74.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.802 179.274 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.555 ' O ' HD23 ' A' ' 17' ' ' LEU . 1.6 tp -60.25 -31.42 70.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.863 179.018 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.861 HD22 ' O ' ' A' ' 19' ' ' LEU . 12.1 mt -69.42 -37.67 77.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.769 179.644 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -56.35 -46.23 80.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.751 179.865 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.506 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 1.1 mt -77.61 -15.07 59.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.98 179.696 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.675 ' O ' ' HB1' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -90.14 -10.0 46.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.904 -179.784 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.38 19.55 3.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.309 0.576 . . . . 0.0 109.758 -178.451 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.887 HD13 ' HA ' ' A' ' 30' ' ' MET . 3.5 tt -112.67 110.56 52.3 Favored Pre-proline 0 N--CA 1.451 -0.401 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.941 -179.074 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.42 ' O ' HD13 ' A' ' 23' ' ' LEU . 73.4 Cg_exo -48.21 169.15 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.768 2.312 . . . . 0.0 113.402 -178.833 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.32 -5.56 56.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.001 179.117 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -73.89 -35.63 64.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.115 0.483 . . . . 0.0 110.722 -179.393 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.724 HD21 ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -101.28 11.38 39.4 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.268 179.894 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.653 ' HE3' HD21 ' A' ' 14' ' ' LEU . 58.9 t-105 -53.36 98.32 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.321 179.576 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.72 -24.53 0.56 Allowed Glycine 0 C--N 1.33 0.241 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.794 179.822 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.431 ' HB3' ' HB2' ' A' ' 29' ' ' ARG . 27.4 t0 -80.37 91.57 5.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.694 0.283 . . . . 0.0 111.113 -179.781 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.502 ' CE1' HG11 ' A' ' 66' ' ' VAL . 40.0 t80 -47.09 -47.25 23.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.806 -179.729 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.94 -35.71 77.18 Favored Glycine 0 CA--C 1.517 0.187 0 C-N-CA 120.849 -0.691 . . . . 0.0 113.381 -179.306 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.431 ' HB2' ' HB3' ' A' ' 26' ' ' ASP . 0.2 OUTLIER -78.96 -45.61 20.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.796 0.298 . . . . 0.0 111.468 -179.42 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.887 ' HA ' HD13 ' A' ' 19' ' ' LEU . 13.9 ptp -61.42 -42.87 99.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.586 0.231 . . . . 0.0 110.971 -179.789 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -63.39 -39.36 94.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.94 0.4 . . . . 0.0 110.391 179.722 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -59.92 -33.89 72.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.171 179.484 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.675 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -81.33 -43.15 19.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.554 179.498 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.604 ' HB2' HD11 ' A' ' 17' ' ' LEU . 13.6 t80 -54.23 -40.97 68.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.981 179.83 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -73.75 -38.96 64.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.635 179.623 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -59.38 -37.61 78.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.203 179.595 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 12.9 mm100 -87.22 -19.56 28.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.138 179.667 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.4 m -72.98 -39.23 66.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.938 0.399 . . . . 0.0 110.676 179.662 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.426 ' O ' ' HD3' ' A' ' 45' ' ' LYS . 0.5 OUTLIER -68.16 -27.1 66.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.398 -179.716 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.519 HD12 ' HG ' ' A' ' 41' ' ' LEU . 4.3 pp -90.14 -15.93 30.58 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.971 -0.291 . . . . 0.0 111.207 179.638 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.738 HD22 ' HB3' ' A' ' 51' ' ' LEU . 7.5 mt -95.42 5.72 50.86 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.167 179.299 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.472 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 20.1 t-80 -85.95 139.52 34.92 Favored Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.618 -0.264 . . . . 0.0 110.396 179.619 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.467 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 87.9 Cg_exo -45.41 -41.54 17.82 Favored 'Trans proline' 0 CA--C 1.528 0.208 0 C-N-CA 122.798 2.332 . . . . 0.0 112.892 -179.797 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.0 -10.93 60.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.712 -179.479 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.472 ' HD3' ' HB3' ' A' ' 42' ' ' HIS . 0.2 OUTLIER -118.36 31.08 6.86 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.82 0.343 . . . . 0.0 111.092 -179.825 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.0 21.64 69.87 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.895 179.738 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -96.68 166.61 23.96 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.468 179.835 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.636 ' HB2' HD12 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -90.28 153.01 20.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.949 0.404 . . . . 0.0 111.012 -179.836 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.29 -49.27 11.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.675 179.757 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.7 -26.94 64.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.183 179.936 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.738 ' HB3' HD22 ' A' ' 41' ' ' LEU . 7.2 mt -71.24 -51.34 25.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.046 179.955 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.434 ' O ' ' HB2' ' A' ' 56' ' ' ASN . 3.0 tpt -51.54 -34.07 34.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.984 -179.93 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -80.38 -30.83 37.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.596 179.696 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -66.71 -54.23 25.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.887 179.879 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.518 HD11 ' CD2' ' A' ' 17' ' ' LEU . 9.3 tp -61.41 -42.47 98.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.74 180.0 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 52' ' ' MET . 1.2 t-20 -62.22 -35.44 78.9 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.86 0.362 . . . . 0.0 110.438 179.679 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.6 m -63.3 -40.52 97.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.512 179.66 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.614 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 3.7 mt -77.82 -29.21 50.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.612 179.556 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.657 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 70.8 t-105 -83.14 -10.2 58.78 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.077 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.467 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -85.58 -57.32 2.21 Favored Glycine 0 C--N 1.338 0.649 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 178.502 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.647 HG23 HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -58.54 -50.62 73.11 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 178.104 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.541 ' N ' ' CG2' ' A' ' 61' ' ' THR . 4.0 t80 -46.28 -48.39 18.08 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 113.55 -1.659 . . . . 0.0 109.174 177.87 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.657 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 3.5 ttmt -60.23 -36.89 78.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.264 -1.335 . . . . 0.0 111.252 179.649 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.7 m -47.17 -37.93 10.98 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.36 0.6 . . . . 0.0 109.4 179.566 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -85.47 -31.79 22.62 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.186 -0.916 . . . . 0.0 109.509 178.175 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.94 ' HA ' HD23 ' A' ' 69' ' ' LEU . 74.8 t -56.17 -40.46 65.06 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.061 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.852 179.637 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -62.34 -31.41 72.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.484 179.764 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -90.78 -23.65 20.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.643 -179.804 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.94 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -57.32 -38.47 74.11 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.762 0.315 . . . . 0.0 111.067 -179.453 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.8 mtp85 -75.4 0.86 15.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.866 -179.865 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.4 mtt -115.84 -30.33 6.12 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.948 179.846 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -61.75 143.14 56.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 179.909 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.18 -57.04 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.761 179.837 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 61.89 38.66 96.37 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.569 179.899 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -154.26 53.58 0.44 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.705 -179.95 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.98 132.27 38.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.877 0.37 . . . . 0.0 110.621 179.873 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -85.73 28.73 4.8 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.545 179.799 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -72.97 141.37 47.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.729 0.3 . . . . 0.0 110.814 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.746 0.308 . . . . 0.0 111.213 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -72.76 117.84 14.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.576 179.704 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.97 87.38 3.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.799 -179.844 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.9 m -129.29 128.13 66.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.191 179.97 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.838 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.1 pt? -90.22 146.3 24.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.478 -179.659 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 p -90.55 -175.27 4.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.975 -179.922 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.411 ' O ' ' HD2' ' A' ' 10' ' ' LYS . 5.3 mtt180 -54.28 -42.35 69.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 179.723 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.14 -40.96 82.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.238 -179.882 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.838 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 1.1 m-20 -66.42 -58.18 5.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.464 -179.649 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.571 ' N ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -60.89 -42.73 98.56 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.773 0.321 . . . . 0.0 110.625 -179.532 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.424 ' HG2' ' HD2' ' A' ' 10' ' ' LYS . 1.3 mm-40 -61.79 -26.1 67.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.31 179.15 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -86.75 -34.5 19.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.402 179.467 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.566 ' O ' HD23 ' A' ' 17' ' ' LEU . 1.6 tp -65.32 -32.38 74.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.896 179.111 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.77 HD22 ' O ' ' A' ' 19' ' ' LEU . 12.5 mt -68.86 -37.17 78.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.709 179.713 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -56.64 -53.63 55.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.663 179.832 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.75 -12.8 61.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.937 179.479 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.608 ' CD2' HD11 ' A' ' 55' ' ' LEU . 0.6 OUTLIER -90.15 -9.35 48.59 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.708 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.68 19.85 1.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.278 0.561 . . . . 0.0 110.042 -178.815 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.827 HD13 ' HA ' ' A' ' 30' ' ' MET . 3.6 tt -113.08 111.26 50.67 Favored Pre-proline 0 N--CA 1.452 -0.368 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.672 -179.286 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.446 ' O ' HD13 ' A' ' 23' ' ' LEU . 85.6 Cg_exo -46.06 166.26 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.66 2.24 . . . . 0.0 113.36 -178.727 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.38 -3.66 57.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.194 179.444 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -78.32 -32.36 49.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.921 0.391 . . . . 0.0 110.902 -179.345 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.706 HD21 HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -101.42 10.95 39.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.134 179.831 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.576 ' HE3' HD21 ' A' ' 14' ' ' LEU . 46.2 t-105 -52.75 100.98 0.03 OUTLIER 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.288 179.599 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.92 -31.46 0.61 Allowed Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.663 179.833 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.478 ' HB3' ' HB2' ' A' ' 29' ' ' ARG . 19.1 t0 -73.96 93.75 2.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.718 0.294 . . . . 0.0 111.17 -179.906 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.855 ' CE1' HG11 ' A' ' 66' ' ' VAL . 20.4 t80 -49.37 -36.65 22.32 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.553 -179.676 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.67 -31.62 73.56 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.848 -0.691 . . . . 0.0 113.0 -179.448 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.552 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -82.85 -35.44 26.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.85 0.357 . . . . 0.0 111.238 -179.645 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.827 ' HA ' HD13 ' A' ' 19' ' ' LEU . 13.5 ptp -74.35 -42.89 58.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.024 -179.902 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -64.35 -47.73 78.21 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.107 -179.994 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' A' ' 29' ' ' ARG . 1.3 pt20 -57.29 -33.11 67.31 Favored 'General case' 0 C--O 1.231 0.107 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.692 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.524 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -77.4 -44.62 28.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.1 178.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.563 ' HB2' HD11 ' A' ' 17' ' ' LEU . 12.2 t80 -54.17 -37.27 64.27 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.26 179.199 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.14 -44.5 38.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.47 179.567 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -61.6 -30.0 70.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.499 179.581 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.506 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 91.9 mm-40 -87.48 -18.33 30.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.07 179.798 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.1 m -77.19 -35.04 56.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.922 0.392 . . . . 0.0 110.611 179.678 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.1 mt -62.29 -32.35 73.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.0 pp -89.18 -15.81 32.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.789 179.719 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.626 HD22 ' HB3' ' A' ' 51' ' ' LEU . 17.1 mt -94.81 -5.83 44.25 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.02 179.535 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.567 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 4.1 t-80 -68.9 138.45 90.29 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.163 179.413 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.567 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 26.1 Cg_endo -62.78 -12.69 30.14 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.531 2.154 . . . . 0.0 112.823 -179.749 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.54 -21.94 25.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.733 0.301 . . . . 0.0 110.903 179.71 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.531 ' HD3' ' HB3' ' A' ' 42' ' ' HIS . 0.9 OUTLIER -99.92 31.01 3.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.016 -179.955 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.54 45.71 75.32 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.682 179.737 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -125.52 171.59 17.44 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.491 179.835 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.605 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -89.99 150.56 22.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.889 0.376 . . . . 0.0 110.854 -179.975 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -79.01 -41.94 27.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.48 -36.75 76.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.61 -179.732 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.626 ' HB3' HD22 ' A' ' 41' ' ' LEU . 3.7 mp -62.28 -55.77 25.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.224 -179.62 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 7.6 tpt -56.99 -30.42 64.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.205 -179.747 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -69.83 -27.55 64.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.8 179.837 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.97 -49.24 38.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.863 179.919 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.608 HD11 ' CD2' ' A' ' 17' ' ' LEU . 7.9 tp -55.53 -46.38 77.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -59.17 -42.75 91.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.01 0.433 . . . . 0.0 110.705 179.78 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 t -66.08 -30.64 71.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.6 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 9.1 mt -86.28 -24.99 25.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.444 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.57 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 63.8 t-105 -89.47 -26.25 21.04 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.108 -0.331 . . . . 0.0 110.108 179.883 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.427 ' HA2' ' NZ ' ' A' ' 63' ' ' LYS . . . -68.29 -63.65 3.49 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.825 -0.702 . . . . 0.0 111.957 179.109 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.603 ' CG2' HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -52.83 -50.19 64.18 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 178.905 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.529 ' HB2' ' O ' ' A' ' 58' ' ' LEU . 5.7 t80 -45.9 -49.37 15.68 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 113.436 -1.711 . . . . 0.0 109.491 177.931 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.585 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 0.2 OUTLIER -56.93 -33.46 67.01 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 114.136 -1.393 . . . . 0.0 111.145 179.724 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.416 ' HB ' ' O ' ' A' ' 61' ' ' THR . 58.1 m -50.88 -37.9 46.39 Favored 'General case' 0 CA--C 1.521 -0.152 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.887 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -85.33 -30.89 23.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.55 178.36 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.924 ' HA ' HD23 ' A' ' 69' ' ' LEU . 76.7 t -56.87 -34.84 44.88 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.058 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.699 179.796 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -68.49 -31.54 70.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.539 179.604 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -90.79 -23.28 20.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.5 -179.855 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.924 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.8 OUTLIER -53.92 -33.64 57.28 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.776 0.322 . . . . 0.0 111.279 -179.548 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -78.58 1.09 23.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.931 0.396 . . . . 0.0 111.972 -179.654 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.2 mmm -104.66 -24.01 13.01 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.297 -179.886 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -102.82 -16.97 15.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.568 -179.674 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.417 HD12 HD13 ' A' ' 69' ' ' LEU . 3.4 mt -77.92 87.65 4.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.151 0.501 . . . . 0.0 110.77 -179.937 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 155.85 162.61 11.49 Favored Glycine 0 N--CA 1.45 -0.418 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.532 179.982 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 130.61 -54.72 0.78 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 -179.939 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.3 p -82.7 106.67 14.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.792 0.33 . . . . 0.0 110.849 -179.993 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 163.07 -32.32 0.29 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.555 -179.812 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -64.48 142.74 58.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.795 0.331 . . . . 0.0 110.807 179.963 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.606 179.771 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.925 0.393 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -156.29 -36.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.993 179.895 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.3 mtt180 -91.06 69.03 6.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.174 -179.677 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.8 m -128.1 126.99 67.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.079 0.466 . . . . 0.0 111.026 179.41 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.812 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.0 pt? -90.28 142.24 27.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.111 -179.698 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.7 p -84.14 -176.15 6.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.97 -179.369 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.485 ' HG3' ' N ' ' A' ' 8' ' ' ALA . 8.2 ptt180 -57.78 -36.6 72.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.015 -179.94 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.485 ' N ' ' HG3' ' A' ' 7' ' ' ARG . . . -64.76 -41.87 95.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.812 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 1.4 m-20 -59.37 -59.66 5.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 179.75 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.508 ' N ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -60.59 -44.2 96.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.685 -179.975 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -63.93 -28.29 69.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.229 179.414 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -85.11 -27.85 25.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.229 179.284 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.687 ' O ' HD13 ' A' ' 17' ' ' LEU . 1.1 tp -68.13 -30.22 69.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.048 179.39 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.791 HD22 HD23 ' A' ' 19' ' ' LEU . 89.2 mt -77.72 -37.4 49.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.008 -179.889 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -59.67 -36.69 76.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.861 179.797 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.44 HD21 HD23 ' A' ' 51' ' ' LEU . 5.6 mp -84.56 -19.88 32.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.23 179.947 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.687 HD13 ' O ' ' A' ' 13' ' ' LEU . 7.2 mp -90.23 -0.58 57.69 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.87 20.39 1.61 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.294 0.569 . . . . 0.0 110.026 -178.902 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.917 HD13 ' HA ' ' A' ' 30' ' ' MET . 4.2 tt -110.65 111.56 56.92 Favored Pre-proline 0 N--CA 1.449 -0.485 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.179 -178.891 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.411 ' O ' HD13 ' A' ' 23' ' ' LEU . 77.0 Cg_exo -47.53 168.17 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 123.156 2.57 . . . . 0.0 113.975 -178.591 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.401 ' HA ' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -90.59 -7.48 52.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.737 179.649 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -76.37 -33.86 58.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.0 0.428 . . . . 0.0 111.252 -178.76 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.682 HD21 HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -97.21 12.64 32.14 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.53 -179.652 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.767 ' CE3' HD11 ' A' ' 14' ' ' LEU . 73.4 t-105 -51.88 97.19 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.234 179.492 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.23 -25.68 0.61 Allowed Glycine 0 C--N 1.332 0.358 0 C-N-CA 120.507 -0.854 . . . . 0.0 113.049 179.883 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.409 ' O ' ' HG2' ' A' ' 30' ' ' MET . 42.5 t0 -80.53 89.71 5.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.591 0.234 . . . . 0.0 111.147 -179.678 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.807 ' CD1' HG11 ' A' ' 66' ' ' VAL . 30.2 t80 -48.2 -35.81 12.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.743 0.306 . . . . 0.0 111.521 -179.788 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.435 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -64.0 -41.08 98.73 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 0.0 113.296 -179.388 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -76.21 -37.8 57.3 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -178.985 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.917 ' HA ' HD13 ' A' ' 19' ' ' LEU . 18.2 ptp -73.26 -40.34 64.69 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.171 -0.212 . . . . 0.0 111.025 -179.879 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -66.36 -36.98 84.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.898 0.38 . . . . 0.0 110.084 179.266 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.435 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -66.28 -36.33 82.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.932 179.13 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.515 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -76.63 -31.65 57.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.37 179.355 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.483 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 13.4 t80 -61.72 -45.14 95.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.513 179.644 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -41.94 78.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.016 0.436 . . . . 0.0 110.443 179.729 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -63.8 -32.2 73.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.611 179.776 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.513 ' OE1' HD21 ' A' ' 40' ' ' LEU . 98.1 mm-40 -90.0 -21.12 22.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.811 179.914 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.2 m -69.81 -37.17 76.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.029 0.442 . . . . 0.0 110.27 179.223 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.8 mt -61.38 -50.35 73.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.841 179.911 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.707 HD12 ' HG ' ' A' ' 41' ' ' LEU . 2.6 pp -64.42 -20.69 66.31 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.707 ' HG ' HD12 ' A' ' 40' ' ' LEU . 34.0 mt -95.72 9.08 41.59 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.796 179.249 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.464 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 3.8 t60 -85.27 131.63 47.67 Favored Pre-proline 0 CA--C 1.53 0.186 0 CA-C-O 120.613 0.244 . . . . 0.0 110.713 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.464 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 75.2 Cg_exo -45.61 -16.3 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.852 2.368 . . . . 0.0 113.614 -179.982 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -92.4 -28.75 16.68 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.785 0.326 . . . . 0.0 111.067 -179.818 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp -98.41 29.02 3.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.058 -179.807 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 59.66 89.38 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.428 -179.909 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -154.07 164.93 31.56 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.581 -179.887 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.516 ' HB2' HD13 ' A' ' 51' ' ' LEU . 2.7 m -87.96 151.61 22.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.851 0.358 . . . . 0.0 110.965 -179.875 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -80.07 -35.99 36.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.777 179.955 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.79 -21.84 66.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.382 -179.886 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.521 ' HB3' HD22 ' A' ' 41' ' ' LEU . 0.5 OUTLIER -86.05 -49.34 7.87 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.976 0.417 . . . . 0.0 110.447 179.735 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -31.05 65.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.278 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -83.07 -38.06 23.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -36.14 83.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.988 0.423 . . . . 0.0 110.225 179.509 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.633 HD11 HD11 ' A' ' 17' ' ' LEU . 9.0 tp -67.82 -46.56 71.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.633 179.732 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -61.85 -39.37 91.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.954 179.921 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.63 -32.42 60.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.742 179.752 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.597 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 13.1 mt -78.94 -29.12 43.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.21 -179.698 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.604 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 63.2 t-105 -88.87 -25.73 21.99 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 179.77 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.2 -63.73 3.16 Favored Glycine 0 C--N 1.335 0.504 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.99 179.031 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.711 HG23 HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -51.1 -49.37 60.84 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 178.779 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.542 ' HB2' ' O ' ' A' ' 58' ' ' LEU . 7.2 t80 -46.48 -56.38 6.04 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 113.221 -1.809 . . . . 0.0 109.289 177.556 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.604 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -53.52 -38.31 63.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.53 -1.214 . . . . 0.0 111.237 179.378 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' A' ' 61' ' ' THR . 28.5 m -47.95 -41.14 24.22 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 121.268 0.556 . . . . 0.0 109.519 179.098 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -83.57 -28.33 28.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.833 178.62 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.807 HG11 ' CD1' ' A' ' 27' ' ' PHE . 71.9 t -57.44 -39.87 71.19 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.068 -179.879 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.33 -30.82 71.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.984 0.421 . . . . 0.0 110.142 179.297 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -90.8 -16.83 27.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.522 179.839 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.743 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -59.54 -40.42 87.14 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.744 0.307 . . . . 0.0 111.061 -179.436 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.4 mtm105 -80.53 1.1 30.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.024 0.44 . . . . 0.0 112.094 -179.468 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 9.0 mtt -96.95 -17.17 20.26 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.625 179.369 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -97.62 -8.35 29.1 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.365 179.865 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.1 mt -81.91 17.55 1.52 Allowed 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 111.593 0.219 . . . . 0.0 111.593 -179.842 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -110.48 -72.09 0.68 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.32 179.899 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 122.1 -44.61 1.31 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.767 179.864 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.1 p -81.01 124.76 29.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 0.0 110.985 179.97 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 173.47 53.65 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.733 179.945 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -86.7 130.83 34.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.809 0.338 . . . . 0.0 110.708 179.711 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.077 -179.607 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.9 mmm . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 120.71 0.29 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -81.67 125.42 30.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.133 -179.887 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.55 93.52 6.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.422 179.652 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.7 m -88.23 125.01 41.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.415 0.626 . . . . 0.0 111.227 -179.633 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.72 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.8 OUTLIER -90.41 140.42 29.74 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.732 179.905 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.6 p -85.92 -169.15 2.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.807 -179.976 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.8 tpp85 -63.19 -37.06 85.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.958 179.882 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.412 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . . . -72.6 -25.1 61.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.745 -179.594 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.72 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 7.3 m-20 -86.27 -49.2 7.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.582 0.23 . . . . 0.0 110.822 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.511 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -56.77 -44.01 81.39 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.953 0.406 . . . . 0.0 110.054 179.442 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.412 ' HG2' ' HA ' ' A' ' 8' ' ' ALA . 0.5 OUTLIER -62.21 -30.77 71.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.992 179.008 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -68.38 -40.7 81.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.767 179.021 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.528 ' O ' HD13 ' A' ' 17' ' ' LEU . 1.4 tp -56.37 -31.44 63.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.086 179.103 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.745 HD12 ' HG2' ' A' ' 21' ' ' ARG . 12.7 mt -70.31 -48.53 56.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.889 179.712 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -49.57 -29.16 6.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.98 0.419 . . . . 0.0 110.666 179.788 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.1 mp -87.65 -22.9 24.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.265 179.798 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.699 HD11 HD11 ' A' ' 55' ' ' LEU . 6.6 mp -88.28 0.34 56.25 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 179.572 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 54.4 19.05 2.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.379 0.609 . . . . 0.0 110.042 -178.893 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.799 HD21 HD21 ' A' ' 23' ' ' LEU . 1.9 tt -109.78 110.27 59.31 Favored Pre-proline 0 N--CA 1.448 -0.533 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.835 -179.244 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -46.19 168.24 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.88 2.386 . . . . 0.0 113.699 -178.604 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.745 ' HG2' HD12 ' A' ' 14' ' ' LEU . 26.1 mtm105 -90.32 -3.3 57.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.041 179.291 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -80.85 -29.44 35.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.874 0.369 . . . . 0.0 111.482 -178.776 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.799 HD21 HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -105.1 11.65 32.99 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.275 179.992 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.6 ' HE3' HD11 ' A' ' 14' ' ' LEU . 27.9 t-105 -54.91 114.68 1.83 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.019 179.424 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 139.87 -26.78 2.6 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.493 -179.925 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.4 ' O ' ' HG2' ' A' ' 30' ' ' MET . 9.8 t70 -79.09 88.49 4.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.674 0.273 . . . . 0.0 111.066 -179.86 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.814 ' CE1' HG11 ' A' ' 66' ' ' VAL . 5.4 t80 -45.7 -32.5 2.47 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.803 -179.695 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.67 -33.23 71.29 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.896 -179.569 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.459 ' HB3' HD11 ' A' ' 19' ' ' LEU . 10.1 mtp180 -84.41 -36.09 22.64 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.565 0.209 . . . . 0.0 111.565 -179.341 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.623 ' HA ' HD13 ' A' ' 19' ' ' LEU . 15.4 ptp -74.24 -44.85 51.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.751 -0.204 . . . . 0.0 111.233 -179.729 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -64.89 -44.29 90.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.908 0.385 . . . . 0.0 110.498 179.669 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -34.16 72.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.147 179.384 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.05 -30.58 39.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.442 179.497 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.433 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 12.8 t80 -61.36 -48.14 82.65 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.343 179.614 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.6 -45.23 91.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.569 179.729 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.56 -30.86 68.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.888 179.864 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.555 ' HA ' HD23 ' A' ' 40' ' ' LEU . 22.0 mm100 -90.19 -24.67 20.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.084 179.872 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.7 m -79.71 -35.14 39.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.849 0.357 . . . . 0.0 110.794 179.948 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.477 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 2.7 mt -64.89 -24.68 67.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.168 -179.804 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.555 HD23 ' HA ' ' A' ' 37' ' ' GLN . 1.6 pp -90.16 -28.7 18.74 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.233 -179.885 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.583 HD21 HD22 ' A' ' 51' ' ' LEU . 15.4 mt -93.4 23.02 4.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.947 0.403 . . . . 0.0 110.59 179.21 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.472 ' ND1' ' HD2' ' A' ' 43' ' ' PRO . 86.3 t60 -90.18 137.62 27.75 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.669 179.855 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.472 ' HD2' ' ND1' ' A' ' 42' ' ' HIS . 91.1 Cg_exo -41.87 -53.37 3.45 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.863 2.375 . . . . 0.0 113.225 -179.799 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.415 ' HB2' ' CD2' ' A' ' 42' ' ' HIS . 6.6 m-20 -67.57 -11.6 58.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.687 -179.626 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' A' ' 39' ' ' LEU . 10.1 mmtm -113.9 31.02 6.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.783 0.325 . . . . 0.0 110.779 179.927 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 57.45 63.68 5.07 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 179.964 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -128.56 163.0 22.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 -179.924 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.565 ' HB2' HD13 ' A' ' 51' ' ' LEU . 1.6 m -90.13 152.84 20.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 111.138 -179.878 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.56 -44.86 18.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.739 179.803 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.429 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -60.41 -27.01 67.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.183 -179.949 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.583 HD22 HD21 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -78.73 -48.98 13.86 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.101 -179.916 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -45.38 87.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.208 -179.628 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -69.47 -35.87 76.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.24 -179.6 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.532 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -63.65 -46.74 84.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.097 0.475 . . . . 0.0 110.351 179.707 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.699 HD11 HD11 ' A' ' 17' ' ' LEU . 12.6 tp -68.13 -43.29 78.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.948 -179.919 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.09 -33.04 72.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.904 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.4 -36.89 45.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.737 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.536 ' HA ' HD23 ' A' ' 5' ' ' LEU . 0.5 OUTLIER -77.52 -25.45 50.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 179.804 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.528 ' HB2' HD11 ' A' ' 13' ' ' LEU . 61.2 t-105 -90.87 -25.57 19.78 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.434 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.425 ' HA2' ' NZ ' ' A' ' 63' ' ' LYS . . . -67.71 -68.6 1.6 Allowed Glycine 0 C--N 1.336 0.566 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.824 179.857 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.563 ' CG2' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -50.47 -48.86 56.45 Favored 'General case' 0 CA--C 1.51 -0.562 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 179.276 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.516 ' N ' ' CG2' ' A' ' 61' ' ' THR . 5.6 t80 -44.45 -52.48 7.81 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 113.395 -1.729 . . . . 0.0 109.347 177.597 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.617 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 0.1 OUTLIER -55.73 -41.74 74.33 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 114.08 -1.418 . . . . 0.0 111.011 179.382 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.43 ' HB ' ' O ' ' A' ' 61' ' ' THR . 94.8 m -51.3 -35.59 38.52 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 178.891 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.32 -31.99 22.72 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.589 178.318 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.967 ' HA ' HD23 ' A' ' 69' ' ' LEU . 50.1 t -49.02 -40.6 12.99 Favored 'Isoleucine or valine' 0 C--O 1.231 0.088 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.822 -179.952 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.26 -31.32 72.48 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.611 179.773 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -90.73 -22.15 21.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.435 -179.741 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.967 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -59.42 -38.52 80.84 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.794 0.331 . . . . 0.0 111.048 -179.543 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -77.97 1.18 21.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.051 0.453 . . . . 0.0 111.864 -179.645 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.7 mtt -113.95 -6.07 13.17 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.397 179.892 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.64 154.88 40.48 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 121.104 0.478 . . . . 0.0 111.332 -179.743 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.492 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 1.0 OUTLIER -142.97 91.8 2.33 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.261 177.67 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -139.97 144.16 14.66 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.713 -179.915 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 116.57 -44.78 1.39 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.659 179.917 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 36.7 p -66.22 150.25 49.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.849 0.356 . . . . 0.0 111.106 -179.827 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 147.78 27.07 0.07 OUTLIER Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.724 -0.75 . . . . 0.0 113.116 179.838 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.8 160.24 32.5 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.784 0.292 . . . . 0.0 110.608 179.708 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.91 179.871 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 ttp . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 120.855 0.36 . . . . 0.0 111.323 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -94.2 -12.62 27.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.148 179.767 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -88.84 89.76 8.12 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-O 120.845 0.355 . . . . 0.0 110.328 179.598 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.3 m -139.44 123.88 20.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.434 -179.975 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.818 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.3 OUTLIER -71.46 149.09 46.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.582 179.282 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.2 p -88.87 177.51 6.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.295 -178.813 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.453 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 36.3 ttm180 -50.84 -35.19 31.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.049 -179.93 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.92 -44.24 70.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.635 -179.692 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.818 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 42.9 m-20 -73.91 -43.38 58.58 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 121.097 -0.241 . . . . 0.0 111.258 -179.541 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.798 ' HB3' HD13 ' A' ' 5' ' ' LEU . 4.3 pttp -67.77 -33.93 75.8 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.877 0.37 . . . . 0.0 110.3 179.501 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.453 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 23.5 tp10 -65.62 -34.83 79.15 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.112 0.482 . . . . 0.0 109.716 178.908 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -66.46 -34.43 77.92 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.662 179.014 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.779 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.9 tp -62.46 -31.74 72.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.124 179.291 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.852 HD22 ' O ' ' A' ' 19' ' ' LEU . 13.2 mt -75.04 -39.31 61.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.89 179.624 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.1 -41.13 67.94 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.021 -179.75 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.475 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 8.4 mp -79.15 -16.26 56.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.632 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.779 HD23 ' O ' ' A' ' 13' ' ' LEU . 3.2 mm? -90.2 -9.37 48.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.972 -179.77 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.22 20.84 1.99 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 121.351 0.596 . . . . 0.0 109.931 -178.637 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.944 HD21 HD21 ' A' ' 23' ' ' LEU . 3.1 tt -111.01 111.09 56.44 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.082 -179.016 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.441 ' O ' HD13 ' A' ' 23' ' ' LEU . 87.9 Cg_exo -43.98 166.92 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.919 2.413 . . . . 0.0 113.575 -178.828 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.2 -9.21 48.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.425 179.607 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -71.95 -35.27 69.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.151 0.501 . . . . 0.0 110.911 -179.215 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.944 HD21 HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -98.5 8.67 44.59 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.26 179.81 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.485 ' CE3' HD11 ' A' ' 14' ' ' LEU . 37.4 t-105 -52.6 100.46 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.019 179.417 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 158.66 -25.02 0.36 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.603 -179.938 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -79.66 89.03 5.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.754 0.312 . . . . 0.0 111.078 -179.817 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.474 ' CE1' HG11 ' A' ' 66' ' ' VAL . 35.7 t80 -47.75 -49.14 29.29 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.091 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.496 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -57.41 -33.63 66.55 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.598 -179.876 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.16 -46.72 14.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.643 0.258 . . . . 0.0 111.634 -179.624 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.626 ' HA ' HD13 ' A' ' 19' ' ' LEU . 1.5 ptm -69.36 -44.57 71.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.45 -179.456 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -61.47 -42.72 99.22 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.529 179.701 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.512 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 0.1 OUTLIER -54.92 -43.88 73.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.83 0.348 . . . . 0.0 110.371 179.647 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.742 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -67.91 -34.03 75.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.748 179.524 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.496 ' CE2' ' CG ' ' A' ' 59' ' ' TRP . 8.9 t80 -54.55 -38.64 66.86 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.681 179.573 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.82 -37.05 41.63 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.288 -179.828 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.512 ' HG2' ' O ' ' A' ' 32' ' ' GLN . 47.0 mm-40 -61.6 -45.7 92.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.857 0.36 . . . . 0.0 110.87 -179.847 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.543 ' HA ' HD21 ' A' ' 40' ' ' LEU . 23.4 mm100 -80.73 -19.21 45.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.048 179.936 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.1 m -71.99 -34.77 69.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.998 0.428 . . . . 0.0 110.161 179.269 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 60.2 mt -66.02 -38.31 88.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.872 179.891 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.543 HD21 ' HA ' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -81.11 -14.92 57.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.034 179.666 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.437 HD22 ' HB3' ' A' ' 51' ' ' LEU . 14.5 mt -95.46 6.08 49.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.463 179.532 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.478 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 19.9 t-80 -87.9 136.15 32.79 Favored Pre-proline 0 C--N 1.332 -0.181 0 CA-C-O 120.719 0.295 . . . . 0.0 110.503 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.478 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 87.9 Cg_exo -45.76 -33.68 10.71 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.988 2.459 . . . . 0.0 113.25 -179.582 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.01 -12.92 60.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.602 -179.305 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -120.89 30.99 6.6 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.765 0.317 . . . . 0.0 111.079 -179.933 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 60.74 54.62 35.46 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.579 179.86 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -116.83 169.57 13.1 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.41 179.896 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.476 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.7 OUTLIER -90.06 149.21 22.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.9 0.381 . . . . 0.0 110.942 -179.917 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -83.3 -37.75 23.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.861 179.908 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.509 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -72.39 -28.82 63.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.492 -179.761 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.476 HD13 ' HB2' ' A' ' 48' ' ' SER . 0.2 OUTLIER -73.99 -49.79 22.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.854 0.359 . . . . 0.0 111.038 -179.784 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.471 ' HE2' ' O ' ' A' ' 52' ' ' MET . 0.0 OUTLIER -57.57 -38.4 74.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.378 -179.705 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -78.32 -32.19 49.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.984 -179.857 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.509 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 1.1 tp10 -64.77 -49.02 72.37 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.091 0.472 . . . . 0.0 110.09 179.224 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.507 HD12 HD12 ' A' ' 13' ' ' LEU . 10.1 tp -61.6 -39.24 90.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.817 179.853 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -60.64 -33.01 72.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.804 179.99 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.77 -36.59 62.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -179.902 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.529 ' HA ' HD23 ' A' ' 5' ' ' LEU . 17.5 mt -79.62 -28.67 40.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.833 179.933 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.672 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 71.5 t-105 -89.81 -18.61 25.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.025 179.53 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.415 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -75.21 -60.88 3.16 Favored Glycine 0 C--N 1.334 0.45 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.082 179.382 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.569 ' CG2' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -56.93 -50.18 73.35 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 179.434 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.766 ' O ' ' HG3' ' A' ' 65' ' ' GLU . 4.7 t80 -45.18 -49.66 11.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 113.442 -1.708 . . . . 0.0 109.679 178.038 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.672 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 1.7 ttmt -57.58 -40.26 78.61 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.729 179.54 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' ' 61' ' ' THR . 86.9 m -53.12 -44.4 67.64 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 178.871 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.766 ' HG3' ' O ' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -82.91 -19.25 37.67 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.246 178.645 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.681 ' HA ' HD23 ' A' ' 69' ' ' LEU . 6.4 t -56.82 -48.16 81.64 Favored 'Isoleucine or valine' 0 C--N 1.339 0.127 0 CA-C-O 120.784 0.326 . . . . 0.0 110.449 179.605 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.41 -26.76 66.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.934 0.397 . . . . 0.0 110.432 179.602 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -90.62 -20.93 22.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.26 179.84 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.681 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -62.09 -37.93 86.94 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.817 0.341 . . . . 0.0 110.672 -179.554 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.2 mtm180 -74.22 1.09 12.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.077 -179.343 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -112.35 -39.33 4.44 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.413 179.548 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -66.17 140.98 58.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.917 179.971 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.47 87.29 7.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.586 179.661 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -151.76 51.74 0.5 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.668 -179.878 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 164.71 32.45 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.825 179.793 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.4 m -86.13 152.21 23.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.694 0.283 . . . . 0.0 110.66 179.829 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -87.47 41.63 3.1 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.458 179.727 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -93.57 25.83 3.31 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.721 0.296 . . . . 0.0 111.055 179.968 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.097 179.978 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 ttp . . . . . 0 N--CA 1.488 1.446 0 CA-C-O 120.822 0.344 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.3 p-10 -99.12 -10.52 22.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.938 179.601 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.04 88.36 6.96 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.988 -179.779 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 25.3 m -138.72 123.21 21.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.195 0.522 . . . . 0.0 111.036 179.473 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.734 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 1.9 pt? -87.77 134.8 33.61 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.578 -179.937 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.9 p -76.64 173.18 11.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.419 -178.85 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -50.27 -33.67 20.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.736 179.834 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.468 ' O ' ' HB2' ' A' ' 12' ' ' ARG . . . -69.86 -26.16 64.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.193 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.734 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 2.0 m-20 -82.7 -55.41 4.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.05 -179.855 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -40.33 87.81 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.908 0.385 . . . . 0.0 110.24 179.844 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -68.98 -31.19 69.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.065 179.13 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.468 ' HB2' ' O ' ' A' ' 8' ' ' ALA . 13.3 ttm-85 -73.97 -36.81 64.59 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.071 179.184 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 tp -63.22 -38.02 89.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.919 178.977 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.837 HD21 ' HE3' ' A' ' 24' ' ' TRP . 14.6 mt -63.72 -47.81 79.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.831 179.827 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -58.84 -23.62 60.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.981 179.855 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.0 mt -89.91 -30.47 17.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.965 -179.862 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.751 HD11 HD11 ' A' ' 55' ' ' LEU . 8.8 mp -85.65 -0.23 54.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.297 -0.411 . . . . 0.0 112.053 179.963 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.44 18.89 1.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.219 0.533 . . . . 0.0 110.435 -179.062 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.738 ' O ' HD22 ' A' ' 14' ' ' LEU . 3.5 tt -104.56 110.79 64.83 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.876 -179.178 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.514 ' HB2' HD21 ' A' ' 23' ' ' LEU . 53.0 Cg_exo -52.67 176.61 0.07 OUTLIER 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.902 2.401 . . . . 0.0 112.775 -179.582 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 46.5 mtp85 -80.76 -26.65 37.15 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.061 -179.475 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.26 -11.71 10.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.934 -179.687 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.778 HD23 ' N ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -128.67 20.92 6.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.097 0.475 . . . . 0.0 110.538 179.969 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.837 ' HE3' HD21 ' A' ' 14' ' ' LEU . 36.9 t-105 -53.25 -17.86 2.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.268 179.791 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -101.16 -19.72 15.89 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.294 179.363 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -63.93 89.96 0.06 Allowed 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.945 0.403 . . . . 0.0 110.8 179.945 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.502 ' CE1' HG11 ' A' ' 66' ' ' VAL . 19.0 t80 -59.3 -42.1 90.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.372 -179.596 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.11 -32.0 82.7 Favored Glycine 0 CA--C 1.518 0.261 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.919 -179.563 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.23 -45.68 25.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.784 0.326 . . . . 0.0 111.232 -179.589 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.498 ' HA ' HD13 ' A' ' 19' ' ' LEU . 11.4 ptp -63.67 -43.37 96.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.131 -179.685 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -61.82 -37.79 85.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 0.0 110.342 179.69 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -66.7 -36.04 81.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.176 179.451 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.557 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -81.14 -32.31 33.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.57 179.559 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.467 ' CE2' ' CG ' ' A' ' 59' ' ' TRP . 7.8 t80 -61.44 -46.36 90.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.295 179.587 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.0 tttp -68.58 -40.04 80.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.504 179.704 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -67.13 -33.25 75.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.614 179.62 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.432 ' HG3' ' HA ' ' A' ' 17' ' ' LEU . 27.4 mm100 -86.35 -22.95 26.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.145 -179.882 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.64 -28.49 66.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.572 179.525 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.414 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 1.3 mt -77.21 -45.94 24.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.218 -179.703 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.47 ' HA ' ' HB3' ' A' ' 45' ' ' LYS . 3.4 pp -75.29 -8.86 57.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.671 0.272 . . . . 0.0 111.443 -179.796 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.499 HD22 ' HB3' ' A' ' 51' ' ' LEU . 19.7 mt -95.28 3.41 54.54 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.15 179.38 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.447 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 25.3 t60 -90.1 140.18 27.37 Favored Pre-proline 0 CA--C 1.531 0.23 0 CA-C-O 120.735 0.302 . . . . 0.0 110.587 179.766 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.447 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 82.0 Cg_exo -45.45 -25.82 2.39 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 123.143 2.562 . . . . 0.0 113.975 -179.411 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.31 -22.86 32.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.588 0.232 . . . . 0.0 111.512 -179.257 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.47 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -108.71 30.43 6.51 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.845 0.355 . . . . 0.0 110.79 -179.752 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.11 52.23 28.94 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.5 179.852 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -127.42 161.31 21.54 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.574 179.913 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.15 151.36 21.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.759 0.314 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -70.69 -47.02 61.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.662 179.68 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.521 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -65.41 -35.23 80.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.18 179.961 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.499 ' HB3' HD22 ' A' ' 41' ' ' LEU . 9.9 mt -66.26 -52.95 42.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.374 -179.628 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -45.69 64.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 0.0 111.127 -179.867 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -73.44 -30.52 63.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.769 179.801 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.521 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 9.8 tt0 -63.07 -33.56 75.71 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.971 0.415 . . . . 0.0 110.154 179.403 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.751 HD11 HD11 ' A' ' 17' ' ' LEU . 10.8 tp -69.46 -46.39 66.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.657 179.791 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -62.97 -34.1 76.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.679 179.82 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 73.2 m -74.95 -33.3 61.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.547 179.722 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.612 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 22.5 mt -83.28 -29.58 28.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.516 179.716 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.589 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 70.6 t-105 -83.11 -13.39 55.74 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.912 179.502 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -80.73 -63.92 1.86 Allowed Glycine 0 C--N 1.338 0.646 0 C-N-CA 121.02 -0.61 . . . . 0.0 111.78 179.069 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.602 ' CG2' HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -53.46 -50.31 65.58 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 107.459 -1.312 . . . . 0.0 107.459 178.877 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.558 ' N ' ' CG2' ' A' ' 61' ' ' THR . 2.7 t80 -44.85 -50.27 10.4 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 113.464 -1.698 . . . . 0.0 109.517 178.013 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.589 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 2.2 ttmt -58.84 -38.83 79.58 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.288 -1.324 . . . . 0.0 111.163 179.543 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 44.0 m -46.9 -37.72 9.34 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.155 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -85.58 -32.23 22.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.668 178.416 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.778 ' HA ' HD23 ' A' ' 69' ' ' LEU . 72.5 t -55.97 -48.82 78.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.3 -179.785 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -55.11 -31.01 60.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.962 0.41 . . . . 0.0 110.371 179.372 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -91.16 -23.6 20.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.743 -179.882 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.778 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.4 OUTLIER -65.22 -17.3 64.38 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.727 -179.098 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.03 0.9 19.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.993 0.425 . . . . 0.0 111.666 179.872 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.2 mtp -107.82 -31.31 8.08 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.689 179.837 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -76.32 110.42 10.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.807 179.886 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.2 tp -120.0 78.41 1.34 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -97.97 107.85 3.53 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.541 -179.962 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -73.51 -146.39 0.89 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.469 -179.929 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.3 t -62.65 152.36 35.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.946 0.403 . . . . 0.0 110.95 -179.917 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -122.96 -61.57 0.2 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.441 179.965 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -88.62 116.62 27.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.842 0.353 . . . . 0.0 110.772 179.956 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.889 -179.97 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 120.892 0.377 . . . . 0.0 111.288 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -76.54 123.0 25.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.745 179.883 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -136.44 68.77 1.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.316 -179.837 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 30.5 m -138.18 125.28 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.092 0.472 . . . . 0.0 111.274 179.631 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.795 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER -86.69 146.27 26.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.738 179.719 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.3 p -89.43 -169.02 2.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.016 -179.372 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.5 mtt-85 -64.44 -34.28 77.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.591 179.83 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.66 -37.56 76.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.355 -179.78 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.795 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -79.33 -51.5 9.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.618 -0.264 . . . . 0.0 110.984 -179.8 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.581 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -57.33 -33.12 67.4 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.032 0.444 . . . . 0.0 109.897 179.374 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.7 tp10 -70.76 -31.29 68.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.464 178.439 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 ttt85 -63.7 -35.88 82.02 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.733 178.908 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.582 ' O ' HD23 ' A' ' 17' ' ' LEU . 3.1 tp -64.53 -37.22 86.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.741 179.108 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.662 HD22 ' O ' ' A' ' 19' ' ' LEU . 15.7 mt -66.75 -41.28 88.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.142 179.999 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -54.22 -44.99 72.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.735 -179.995 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.432 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 0.9 OUTLIER -81.81 -15.9 52.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.996 179.834 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.625 HD21 HD11 ' A' ' 55' ' ' LEU . 0.7 OUTLIER -89.58 -4.39 57.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.641 -179.573 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 52.93 19.07 1.21 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.282 0.563 . . . . 0.0 110.598 -179.061 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.873 HD13 ' HA ' ' A' ' 30' ' ' MET . 5.4 tt -113.31 110.32 50.78 Favored Pre-proline 0 N--CA 1.449 -0.512 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.813 -179.626 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -52.25 170.81 0.22 Allowed 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.673 2.249 . . . . 0.0 113.448 -178.7 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.34 -9.0 54.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.768 179.1 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.16 -34.07 74.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.067 -179.271 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.838 ' CD2' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -105.7 11.42 32.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.088 179.879 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.611 ' HE3' HD21 ' A' ' 14' ' ' LEU . 63.4 t-105 -49.37 100.85 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.29 179.441 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 152.19 -22.97 0.87 Allowed Glycine 0 CA--C 1.521 0.419 0 C-N-CA 120.768 -0.73 . . . . 0.0 113.017 179.953 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.405 ' O ' ' HG2' ' A' ' 30' ' ' MET . 12.9 t0 -78.58 88.46 4.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.624 0.249 . . . . 0.0 111.155 -179.748 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.725 ' CE1' HG11 ' A' ' 66' ' ' VAL . 14.0 t80 -49.94 -36.35 27.54 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.974 -179.62 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.22 -39.72 94.56 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.769 -0.729 . . . . 0.0 113.228 -179.283 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.49 -43.59 26.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.682 0.241 . . . . 0.0 111.615 -179.277 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.873 ' HA ' HD13 ' A' ' 19' ' ' LEU . 13.3 ptp -62.04 -44.82 95.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.673 0.273 . . . . 0.0 110.948 -179.746 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -63.14 -37.71 88.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.427 179.688 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.7 tp60 -60.51 -32.95 71.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.329 179.501 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.54 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -80.59 -42.06 22.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.505 179.453 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.513 ' CE2' ' CD1' ' A' ' 59' ' ' TRP . 8.5 t80 -51.33 -41.78 60.8 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-O 121.11 0.481 . . . . 0.0 109.821 179.066 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? -73.18 -34.24 65.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.314 179.429 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -61.77 -41.15 97.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.637 179.774 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 0.8 OUTLIER -83.93 -22.75 31.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.079 179.78 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.3 m -64.07 -28.35 69.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.028 179.81 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 39' ' ' LEU . 17.9 mt -79.64 -31.65 41.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.497 -179.6 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.427 ' HG ' ' HA ' ' A' ' 37' ' ' GLN . 1.6 pp -89.16 -15.45 33.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.367 179.893 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 23.1 mt -94.2 -5.0 47.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.782 0.325 . . . . 0.0 110.699 179.151 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.494 ' HB3' ' HG2' ' A' ' 45' ' ' LYS . 26.1 t-80 -56.6 140.74 73.97 Favored Pre-proline 0 CA--C 1.531 0.245 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.32 179.384 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.484 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 36.2 Cg_endo -65.28 -18.04 59.75 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.566 2.177 . . . . 0.0 113.357 -179.029 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -85.81 -18.35 33.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.682 0.277 . . . . 0.0 111.329 -179.973 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.494 ' HG2' ' HB3' ' A' ' 42' ' ' HIS . 6.9 mmtt -100.94 31.24 3.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.9 0.381 . . . . 0.0 110.939 -179.648 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.65 45.69 93.93 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.675 179.845 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -107.19 175.34 20.43 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.324 179.845 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.411 ' HB2' HD12 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -90.13 145.75 24.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 110.889 179.972 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.465 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 1.8 m80 -82.92 -47.32 11.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 179.951 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.39 -25.42 68.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.5 -179.878 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.411 HD12 ' HB2' ' A' ' 48' ' ' SER . 7.7 mt -76.97 -48.65 17.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.869 0.366 . . . . 0.0 111.092 -179.842 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.62 -40.22 38.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.351 -179.699 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -71.46 -29.83 65.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.728 179.886 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.38 -48.78 76.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.625 HD11 HD21 ' A' ' 17' ' ' LEU . 13.2 tp -63.28 -34.3 77.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.105 -179.755 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -69.94 -32.55 70.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.106 -179.914 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 54.7 p -74.87 -46.2 37.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.254 -179.726 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.487 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 5.4 mt -69.45 -29.28 66.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.01 -179.852 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.543 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 69.4 t-105 -89.37 -19.02 25.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.135 179.956 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.08 -66.5 1.96 Allowed Glycine 0 C--N 1.335 0.505 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.121 179.438 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.544 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -52.77 -49.84 64.74 Favored 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 179.277 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.544 ' N ' ' CG2' ' A' ' 61' ' ' THR . 4.5 t80 -43.78 -49.59 8.0 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 113.553 -1.658 . . . . 0.0 109.358 177.852 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.572 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 1.7 ttmt -57.26 -41.09 79.01 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.11 -1.404 . . . . 0.0 111.1 179.387 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.412 ' HB ' ' O ' ' A' ' 61' ' ' THR . 90.7 m -46.33 -37.35 7.33 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 121.282 0.563 . . . . 0.0 109.526 179.279 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -85.48 -32.83 22.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.757 178.43 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.956 ' HA ' HD23 ' A' ' 69' ' ' LEU . 69.6 t -52.22 -47.61 44.51 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.071 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.087 -179.933 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -59.44 -28.9 67.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.964 0.411 . . . . 0.0 110.446 179.792 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -90.85 -22.82 20.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.447 179.876 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.956 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -61.08 -32.38 72.03 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.733 0.302 . . . . 0.0 110.852 -179.316 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.2 mtt180 -73.9 0.98 11.73 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.009 0.433 . . . . 0.0 111.884 -179.785 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -104.6 -25.27 12.81 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.564 179.522 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -72.15 137.14 46.76 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.801 179.794 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.9 tp -123.94 -61.34 1.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.925 179.895 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 94.42 -133.19 11.49 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.431 -179.998 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 177.06 37.61 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.581 179.939 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.3 t -76.73 145.46 38.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.859 0.361 . . . . 0.0 110.805 179.931 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -66.01 -26.0 72.22 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.288 179.762 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.26 107.26 19.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.7 0.286 . . . . 0.0 110.954 179.981 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.796 179.817 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mtm . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 120.802 0.334 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -65.18 140.53 58.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.962 179.95 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.39 69.25 1.23 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.764 179.788 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 4' ' ' VAL . 27.2 m -133.0 124.32 49.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.176 0.512 . . . . 0.0 111.126 179.952 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.759 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 2.2 pt? -83.57 147.14 27.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.929 -179.929 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.6 p -89.4 -177.3 5.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.506 -178.891 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.99 -34.4 65.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.87 179.889 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.11 -42.01 94.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.742 179.721 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.759 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 1.0 OUTLIER -64.78 -56.5 13.19 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.054 179.919 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.466 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -59.6 -40.86 88.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.858 0.361 . . . . 0.0 110.653 -179.709 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.432 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 2.5 mm-40 -64.67 -32.22 73.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.177 179.161 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -79.25 -36.92 39.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.158 179.307 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.823 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.5 tp -59.85 -32.7 70.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.113 179.233 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.868 HD22 ' O ' ' A' ' 19' ' ' LEU . 26.5 mt -72.33 -42.61 65.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.175 -179.821 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -51.64 -36.59 46.72 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.067 0.46 . . . . 0.0 110.442 179.665 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.76 HD21 HD22 ' A' ' 51' ' ' LEU . 8.6 mp -86.1 -19.06 30.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.966 179.487 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.823 HD23 ' O ' ' A' ' 13' ' ' LEU . 3.5 mm? -89.89 -7.09 55.02 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.301 -0.409 . . . . 0.0 112.051 -179.859 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 mttp 55.19 19.1 2.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.268 0.556 . . . . 0.0 110.315 -178.924 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.868 ' O ' HD22 ' A' ' 14' ' ' LEU . 3.8 tt -108.18 107.41 60.18 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.017 -179.383 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -47.21 169.91 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.217 2.612 . . . . 0.0 114.105 -178.672 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.559 ' HG2' ' CD1' ' A' ' 14' ' ' LEU . 4.3 mtm105 -88.87 -3.12 58.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.118 179.388 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.97 -27.6 33.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.957 0.408 . . . . 0.0 111.232 -178.849 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.726 ' O ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -112.78 14.99 19.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.365 -179.864 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.616 ' CE3' HD11 ' A' ' 14' ' ' LEU . 55.6 t-105 -52.93 102.44 0.05 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.426 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 151.99 -20.27 0.87 Allowed Glycine 0 CA--C 1.521 0.446 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.986 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -75.92 88.57 2.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.648 0.261 . . . . 0.0 111.164 -179.831 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.719 ' CD1' HG11 ' A' ' 66' ' ' VAL . 23.6 t80 -51.93 -29.24 19.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.83 -179.737 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.37 -43.14 39.22 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 113.306 -179.308 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 84.4 mtt-85 -76.12 -35.87 59.1 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -179.263 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.479 ' HA ' HD13 ' A' ' 19' ' ' LEU . 13.8 ptp -67.34 -43.34 81.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.685 0.279 . . . . 0.0 111.054 -179.951 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -64.03 -33.68 76.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.901 0.381 . . . . 0.0 110.155 179.359 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -62.88 -38.04 89.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.207 179.346 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.524 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -76.47 -41.57 46.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.666 179.563 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.428 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 14.9 t80 -53.03 -47.07 68.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.813 179.636 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.87 -38.06 76.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.019 -179.925 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.1 mm100 -64.91 -55.36 19.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.775 179.947 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.557 ' HA ' HD21 ' A' ' 40' ' ' LEU . 14.7 mm100 -69.33 -17.91 63.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.119 179.86 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.71 -28.59 68.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.991 0.424 . . . . 0.0 110.266 179.135 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 81.2 mt -71.4 -37.94 71.49 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.964 179.877 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.557 HD21 ' HA ' ' A' ' 37' ' ' GLN . 0.4 OUTLIER -84.89 -10.77 56.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.653 -179.89 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.751 HD22 ' HB3' ' A' ' 51' ' ' LEU . 31.4 mt -94.3 1.31 55.94 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.7 0.286 . . . . 0.0 111.312 179.559 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.469 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 7.1 t60 -82.81 140.92 43.79 Favored Pre-proline 0 C--N 1.332 -0.195 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.184 179.641 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 20.5 Cg_endo -62.64 -9.13 14.94 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.461 2.107 . . . . 0.0 113.01 -179.463 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -93.09 -27.08 17.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.774 0.321 . . . . 0.0 110.766 179.628 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.405 ' HD3' ' HB3' ' A' ' 42' ' ' HIS . 0.1 OUTLIER -99.09 29.08 4.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.747 179.825 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 62.57 82.45 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.47 -179.913 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -155.52 -177.89 29.2 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.492 179.958 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.6 ' HB2' HD12 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -90.26 136.14 33.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.854 0.359 . . . . 0.0 110.801 -179.959 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 58.3 m80 -67.61 -42.39 82.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.925 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.34 -34.98 77.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 -179.949 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.76 HD22 HD21 ' A' ' 16' ' ' LEU . 8.0 mt -60.22 -49.14 78.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.844 -179.958 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 11.0 tpt -53.09 -38.52 62.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.803 179.79 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -76.07 -30.72 58.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.81 179.825 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -61.62 -53.04 61.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.665 179.898 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.724 HD11 ' CD2' ' A' ' 17' ' ' LEU . 11.6 tp -58.42 -47.43 83.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.062 179.793 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.67 -45.22 89.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.905 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.7 m -72.89 -32.51 65.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.635 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 10.0 mt -81.16 -22.78 38.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 -179.941 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.541 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 58.9 t-105 -90.47 -26.62 19.72 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 179.851 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.447 ' HA2' ' NZ ' ' A' ' 63' ' ' LYS . . . -68.94 -65.33 2.66 Favored Glycine 0 C--N 1.333 0.41 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.047 179.344 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.735 HG23 HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -50.71 -49.53 57.42 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 178.821 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.522 ' N ' ' CG2' ' A' ' 61' ' ' THR . 5.6 t80 -45.62 -53.82 8.61 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 113.459 -1.7 . . . . 0.0 109.34 177.588 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.557 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 0.2 OUTLIER -53.2 -39.28 63.57 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.167 -1.379 . . . . 0.0 111.246 179.624 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.428 ' HB ' ' O ' ' A' ' 61' ' ' THR . 89.3 m -49.94 -37.61 32.73 Favored 'General case' 0 CA--C 1.521 -0.158 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 178.807 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -85.3 -29.74 24.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.878 178.305 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.888 ' HA ' HD23 ' A' ' 69' ' ' LEU . 83.9 t -58.19 -42.52 83.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.404 -179.73 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.29 -37.39 85.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.091 -179.767 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -90.43 -13.17 35.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.711 -179.913 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.888 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -60.52 -39.07 86.46 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.935 0.398 . . . . 0.0 110.224 179.937 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.98 0.82 14.58 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.894 -179.877 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.6 mmt -117.93 -27.74 6.09 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.716 179.728 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -97.53 -67.46 0.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.854 179.76 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.69 79.13 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.786 -179.936 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -166.59 65.31 0.2 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.657 179.958 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -79.81 178.48 53.75 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.374 179.945 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.1 t -75.21 122.85 24.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.914 0.388 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 166.41 73.84 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.235 179.991 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -89.12 114.81 26.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.796 0.331 . . . . 0.0 110.917 -179.739 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 179.9 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.781 0.325 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -60.51 122.72 15.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -146.67 94.08 2.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.262 179.93 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.6 m -137.53 129.88 41.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.115 0.483 . . . . 0.0 111.57 -179.485 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.734 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 1.6 pt? -85.02 134.63 34.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.411 179.452 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.3 p -65.58 177.15 1.26 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.527 -178.841 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -56.2 -36.48 68.45 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.424 179.724 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.52 -39.31 88.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.948 179.767 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.734 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 10.0 m-20 -70.85 -56.28 6.65 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.98 -179.799 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.599 ' HA ' HD11 ' A' ' 5' ' ' LEU . 6.9 ptmt -57.75 -35.65 71.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.615 -179.891 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.438 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 4.5 mm-40 -73.48 -33.15 64.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.067 0.461 . . . . 0.0 109.831 178.857 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 -68.66 -26.95 65.57 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.112 179.044 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.792 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.7 tp -72.32 -35.37 68.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.782 179.068 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.66 HD21 ' HE3' ' A' ' 24' ' ' TRP . 13.5 mt -69.25 -38.69 78.59 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.839 179.788 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -55.25 37.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.741 179.903 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.57 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -70.69 -11.36 60.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.163 179.89 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.792 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.1 mm? -90.14 -7.69 53.07 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.749 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.93 19.5 2.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.217 0.532 . . . . 0.0 110.286 -178.744 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.786 HD21 ' CD2' ' A' ' 23' ' ' LEU . 6.4 tt -113.01 113.26 49.58 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.571 -179.574 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.441 ' O ' HD23 ' A' ' 19' ' ' LEU . 84.0 Cg_exo -46.48 166.07 0.08 OUTLIER 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.92 2.413 . . . . 0.0 113.582 -178.531 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.434 ' HA ' HD13 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -90.16 -3.3 57.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.192 179.401 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -78.96 -32.53 45.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.038 0.447 . . . . 0.0 111.065 -178.956 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.786 ' CD2' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -101.06 15.16 29.62 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.991 179.983 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.66 ' HE3' HD21 ' A' ' 14' ' ' LEU . 53.6 t-105 -54.84 98.37 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.195 179.533 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 156.41 -28.73 0.56 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.552 -0.832 . . . . 0.0 112.91 179.873 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -75.85 95.29 3.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.74 0.305 . . . . 0.0 111.285 -179.714 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.713 ' CE1' HG11 ' A' ' 66' ' ' VAL . 35.3 t80 -52.05 -33.62 39.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.58 -179.831 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.13 -34.16 80.42 Favored Glycine 0 CA--C 1.517 0.198 0 C-N-CA 120.731 -0.747 . . . . 0.0 113.141 -179.407 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.4 mtt85 -80.98 -46.19 15.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.813 0.307 . . . . 0.0 111.333 -179.626 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.761 ' HA ' HD13 ' A' ' 19' ' ' LEU . 16.1 ptp -59.69 -45.62 91.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.684 0.278 . . . . 0.0 110.933 -179.864 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -63.22 -43.44 98.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.368 179.668 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -55.78 -34.31 65.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.184 0.516 . . . . 0.0 110.088 179.214 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.589 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -80.1 -48.09 13.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.31 179.277 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.459 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 15.3 t80 -47.55 -43.84 25.44 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.26 179.853 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -74.32 -36.54 63.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.936 0.398 . . . . 0.0 110.752 179.982 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -36.65 84.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.673 179.858 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.57 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 21.7 mm100 -90.13 -19.25 24.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.21 -179.929 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.3 m -75.27 -29.98 60.3 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.903 0.383 . . . . 0.0 110.664 179.57 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.9 mt -64.4 -31.79 73.15 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.126 -179.823 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.0 pp -88.15 -18.39 28.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.844 179.928 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.673 HD22 ' HB3' ' A' ' 51' ' ' LEU . 56.3 mt -88.22 13.06 12.24 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 120.76 0.314 . . . . 0.0 111.001 179.24 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.448 ' CD2' ' HB2' ' A' ' 44' ' ' ASP . 49.6 t60 -89.58 130.92 41.6 Favored Pre-proline 0 CA--C 1.53 0.199 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.358 179.767 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.445 ' HD2' ' ND1' ' A' ' 42' ' ' HIS . 13.3 Cg_endo -56.31 -15.12 13.91 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.71 2.273 . . . . 0.0 113.051 -179.613 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.448 ' HB2' ' CD2' ' A' ' 42' ' ' HIS . 1.9 t70 -82.44 -20.35 37.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.689 0.28 . . . . 0.0 111.112 179.888 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.6 mmtt -108.19 30.92 5.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.926 0.393 . . . . 0.0 110.938 -179.876 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.44 50.95 34.51 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.649 -179.991 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -122.32 172.09 15.56 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.387 179.834 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.819 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -89.33 150.83 22.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.814 0.34 . . . . 0.0 110.893 179.999 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.435 ' CE1' ' HG3' ' A' ' 43' ' ' PRO . 5.3 m-70 -79.17 -31.41 43.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.87 -35.53 64.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.52 -179.725 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.819 HD13 ' HB2' ' A' ' 48' ' ' SER . 3.2 mp -62.82 -51.71 65.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.279 -179.61 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 9.2 tpt -54.08 -46.72 72.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.352 -179.714 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -71.98 -24.84 61.65 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.079 -179.961 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -47.87 70.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.991 0.424 . . . . 0.0 110.65 179.634 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.516 HD11 HD21 ' A' ' 17' ' ' LEU . 12.7 tp -64.1 -37.8 88.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.923 -179.943 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.43 -36.87 85.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.765 179.901 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.37 -30.98 68.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 179.806 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.624 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 18.4 mt -83.77 -30.77 26.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.7 179.731 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.579 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 62.5 t-105 -88.62 -13.09 40.75 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.924 179.415 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.423 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -78.46 -63.23 2.16 Favored Glycine 0 C--N 1.336 0.576 0 C-N-CA 121.175 -0.536 . . . . 0.0 112.198 179.39 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.588 HG21 ' HB3' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -55.63 -49.7 72.16 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 179.268 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.553 ' N ' ' CG2' ' A' ' 61' ' ' THR . 5.5 t80 -44.2 -48.85 9.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 113.484 -1.689 . . . . 0.0 109.482 178.067 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.579 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 2.6 ttmt -57.81 -34.94 70.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.037 -1.438 . . . . 0.0 110.996 179.754 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.2 m -47.99 -37.64 15.15 Favored 'General case' 0 CA--C 1.52 -0.2 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.08 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.463 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 17.9 mm-40 -84.79 -32.36 23.41 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.536 178.646 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 1.01 ' HA ' HD23 ' A' ' 69' ' ' LEU . 90.6 t -58.83 -36.56 61.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.813 179.841 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -65.52 -35.45 80.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.768 179.907 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.463 ' ND2' ' HA ' ' A' ' 65' ' ' GLU . 15.9 p30 -90.53 -15.62 30.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.66 -179.848 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 1.01 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -63.72 -38.8 92.47 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-O 120.796 0.331 . . . . 0.0 110.274 -179.892 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -71.81 1.11 7.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 112.168 -179.594 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.4 mtt -107.33 -29.46 9.27 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.827 179.666 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -100.29 -17.19 17.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.416 -179.782 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.08 -55.98 2.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.885 0.374 . . . . 0.0 111.096 -179.904 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -55.67 -82.12 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.648 -179.896 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 128.33 56.67 0.11 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.333 179.947 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 7.3 t -65.02 119.62 11.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.879 0.371 . . . . 0.0 111.098 -179.809 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -100.68 46.29 1.35 Allowed Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.224 179.781 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -89.97 31.52 0.97 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.761 0.315 . . . . 0.0 111.136 -179.891 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.946 -179.96 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.813 0.34 . . . . 0.0 111.222 . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -90.91 17.11 8.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.704 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 43.3 mtt85 -136.83 75.38 1.53 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.547 179.913 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.6 m -134.84 126.13 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.173 0.511 . . . . 0.0 111.307 -179.942 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.768 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER -88.91 144.29 26.29 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.996 179.665 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.4 p -90.4 -170.08 2.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.511 -179.105 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.417 ' HA ' ' CG ' ' A' ' 10' ' ' LYS . 34.1 mtp180 -61.76 -35.87 79.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.778 179.776 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.6 -42.79 81.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.319 -179.684 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.768 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 13.8 m-20 -72.39 -54.36 9.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.83 -179.926 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.417 ' CG ' ' HA ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -55.1 -33.03 62.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.831 0.348 . . . . 0.0 110.298 179.642 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -66.19 -37.31 85.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.089 179.153 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 -63.64 -37.5 87.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.856 179.436 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.661 ' O ' HD23 ' A' ' 17' ' ' LEU . 4.3 tp -63.4 -34.03 76.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.87 178.938 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.718 HD22 ' O ' ' A' ' 19' ' ' LEU . 11.2 mt -68.66 -38.81 80.71 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.139 -179.921 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -58.33 -44.79 88.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.4 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 1.0 OUTLIER -77.1 -13.08 60.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.144 179.836 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.661 HD23 ' O ' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -90.57 -12.79 36.01 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.724 -179.781 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.5 18.73 2.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.219 0.533 . . . . 0.0 110.4 -178.69 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.718 ' O ' HD22 ' A' ' 14' ' ' LEU . 1.6 tt -106.82 114.64 61.48 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.277 -179.604 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.525 ' HD2' HD11 ' A' ' 23' ' ' LEU . 44.3 Cg_exo -52.18 -179.48 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.518 2.146 . . . . 0.0 112.637 -179.392 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.6 mtt180 -84.98 -25.01 28.02 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.819 -179.508 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -64.21 -8.16 11.57 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.196 -0.456 . . . . 0.0 112.022 -179.755 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.771 HD23 ' N ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -132.98 17.19 4.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.865 0.364 . . . . 0.0 110.896 -179.785 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.629 ' HE3' HD21 ' A' ' 14' ' ' LEU . 39.7 t-105 -53.14 -23.01 7.17 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.045 179.837 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.2 -22.96 23.58 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.182 179.495 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -58.72 93.84 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.882 0.373 . . . . 0.0 110.729 179.844 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.562 ' CE1' HG11 ' A' ' 66' ' ' VAL . 15.0 t80 -58.51 -36.73 74.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.403 -179.656 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -69.02 -35.47 78.72 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.851 -0.69 . . . . 0.0 113.485 -179.133 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.444 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -83.89 -28.65 27.79 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -178.939 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.514 ' HA ' HD13 ' A' ' 19' ' ' LEU . 9.9 ptp -73.12 -44.88 59.64 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.889 -179.915 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.428 ' N ' ' HG3' ' A' ' 30' ' ' MET . 7.2 tt0 -68.41 -36.57 79.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.897 0.379 . . . . 0.0 110.29 179.512 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.441 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -61.39 -38.14 85.96 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.22 179.306 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.558 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -77.05 -41.92 40.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.934 179.82 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.47 ' CE2' ' CG ' ' A' ' 59' ' ' TRP . 8.2 t80 -49.82 -46.16 50.85 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.848 0.356 . . . . 0.0 110.7 179.858 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -76.42 -35.87 58.33 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.975 179.97 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.426 ' HB2' ' O ' ' A' ' 32' ' ' GLN . 0.3 OUTLIER -66.14 -34.57 78.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.738 179.825 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.643 ' O ' HD12 ' A' ' 41' ' ' LEU . 28.4 mm100 -87.62 -20.1 26.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.162 179.938 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 86.2 p -76.06 -32.51 59.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.669 179.577 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.0 mt -65.45 -35.35 80.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.996 -179.837 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 2.7 pp -86.12 -15.39 41.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.731 0.3 . . . . 0.0 111.039 179.772 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.643 HD12 ' O ' ' A' ' 37' ' ' GLN . 3.9 mt -95.14 7.28 46.61 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.906 0.384 . . . . 0.0 110.783 179.311 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.489 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 7.3 t-80 -70.51 141.74 88.34 Favored Pre-proline 0 N--CA 1.454 -0.239 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.524 179.95 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.489 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 28.6 Cg_endo -64.22 -19.16 65.56 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.807 2.338 . . . . 0.0 113.497 -178.961 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.04 -20.25 26.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.672 0.272 . . . . 0.0 111.222 -179.986 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.6 mmtt -99.14 30.33 3.5 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.897 0.379 . . . . 0.0 110.769 179.732 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.37 75.4 0.35 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.622 179.992 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -155.62 174.45 33.65 Favored Glycine 0 C--N 1.329 0.181 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.477 179.893 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.676 ' CB ' HD13 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -90.24 118.69 29.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.815 0.341 . . . . 0.0 110.744 179.962 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 46.9 p-80 -59.38 -41.8 90.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.197 -179.79 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.6 -35.7 63.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.742 0.306 . . . . 0.0 111.478 -179.752 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.676 HD13 ' CB ' ' A' ' 48' ' ' SER . 3.4 mp -63.36 -54.22 40.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.019 -179.942 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.12 -43.34 66.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 -179.782 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -70.0 -34.8 73.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.764 179.877 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -64.05 -36.85 85.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.596 179.793 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.583 HD11 HD21 ' A' ' 17' ' ' LEU . 12.3 tp -67.69 -35.59 79.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.798 179.89 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -63.03 -31.79 73.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.1 t -70.45 -47.92 58.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.186 -179.932 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.552 ' HB3' ' HB2' ' A' ' 13' ' ' LEU . 2.4 mt -70.26 -29.86 66.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.103 -179.798 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.574 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 68.0 t-105 -88.04 -18.28 29.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.319 179.784 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.14 -65.15 2.25 Favored Glycine 0 C--N 1.334 0.446 0 C-N-CA 120.942 -0.646 . . . . 0.0 112.16 179.44 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.537 HG21 ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -53.33 -49.86 66.19 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 107.376 -1.342 . . . . 0.0 107.376 179.208 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.531 ' N ' ' CG2' ' A' ' 61' ' ' THR . 3.7 t80 -44.73 -49.28 10.62 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 113.481 -1.69 . . . . 0.0 109.668 177.787 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.574 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 1.7 ttmt -57.45 -38.19 74.06 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.327 -1.306 . . . . 0.0 111.456 -179.971 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.1 m -47.02 -37.45 9.31 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.353 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -85.44 -32.83 22.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.723 178.187 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.937 ' HA ' HD23 ' A' ' 69' ' ' LEU . 81.7 t -56.36 -34.78 41.4 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.872 179.84 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -69.66 -39.67 76.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.179 -179.675 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.4 p30 -88.83 -11.56 44.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.516 179.856 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.937 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -59.63 -33.22 71.23 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 121.022 0.439 . . . . 0.0 110.731 179.815 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -75.02 1.24 13.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.057 -179.672 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.1 mtt -119.91 -42.02 2.63 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.56 179.711 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -59.74 166.73 2.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.874 179.879 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.63 41.68 1.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.996 179.935 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -98.28 41.15 2.31 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.342 179.94 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 139.01 -101.46 0.32 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.296 -179.896 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.6 t -83.51 119.91 25.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.777 0.323 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -122.68 -78.28 0.43 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.25 179.909 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -83.15 107.28 15.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.372 . . . . 0.0 110.586 179.761 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.186 -179.801 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 120.749 0.309 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -128.0 -71.39 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.149 -179.644 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.1 tpm_? -104.89 94.94 5.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.592 179.909 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.3 m -82.56 123.79 38.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.47 0.652 . . . . 0.0 110.985 -179.733 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.881 HD13 ' HB3' ' A' ' 10' ' ' LYS . 0.6 OUTLIER -90.43 144.38 25.86 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.553 -179.847 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.6 p -89.78 -177.9 5.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.773 179.796 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.01 -35.25 64.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.277 -179.843 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.78 -34.37 64.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.447 -179.811 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.668 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 24.4 m-20 -78.2 -50.57 11.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.017 -179.893 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.881 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -60.0 -35.26 74.65 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.005 0.431 . . . . 0.0 110.04 179.442 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.459 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 2.2 mm-40 -69.61 -33.12 72.22 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 178.857 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.6 -33.58 75.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.798 178.963 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.673 HD12 HD12 ' A' ' 55' ' ' LEU . 1.9 tp -61.2 -38.76 87.72 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.808 179.036 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.693 HD22 ' O ' ' A' ' 19' ' ' LEU . 36.8 mt -66.77 -35.57 80.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.103 179.753 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -54.32 -61.88 2.02 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.736 179.939 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.7 mp -68.27 -12.41 60.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 179.546 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.667 ' O ' ' HB1' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -90.08 -10.25 45.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.967 -179.8 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.31 19.11 2.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.359 0.599 . . . . 0.0 110.11 -178.875 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 1.117 HD11 HD21 ' A' ' 23' ' ' LEU . 2.6 tm? -111.97 98.9 43.87 Favored Pre-proline 0 N--CA 1.446 -0.637 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.48 -179.341 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.432 ' O ' HD13 ' A' ' 23' ' ' LEU . 88.5 Cg_exo -39.92 165.02 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.488 2.792 . . . . 0.0 114.134 -178.306 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.441 ' HA ' HD13 ' A' ' 14' ' ' LEU . 4.6 ptt-85 -90.21 -5.37 56.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.023 179.164 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -34.85 60.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.977 0.417 . . . . 0.0 110.958 -179.3 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.117 HD21 HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -98.31 4.12 48.69 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.22 179.867 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.679 ' CE3' HD11 ' A' ' 14' ' ' LEU . 59.7 t-105 -44.68 98.29 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.357 179.607 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.96 -26.1 0.63 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.607 -179.998 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.439 ' O ' ' HG2' ' A' ' 30' ' ' MET . 12.8 t0 -81.91 82.5 7.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.731 0.301 . . . . 0.0 111.018 -179.834 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.807 ' CD1' HG11 ' A' ' 66' ' ' VAL . 28.7 t80 -42.06 -31.34 0.35 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.917 -179.77 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.451 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -67.95 -37.96 88.4 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.931 -179.674 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.0 mtm180 -81.09 -49.12 11.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.663 0.268 . . . . 0.0 111.567 -179.427 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.711 ' HA ' ' HG ' ' A' ' 19' ' ' LEU . 8.4 ptp -58.53 -47.18 85.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.467 -179.467 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -63.82 -40.31 96.31 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.52 179.844 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.451 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.7 OUTLIER -58.15 -39.96 80.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.078 0.466 . . . . 0.0 110.223 179.348 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.667 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -71.37 -39.6 71.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.289 179.188 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.458 ' CE2' ' CB ' ' A' ' 59' ' ' TRP . 14.0 t80 -54.11 -46.55 72.15 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.562 179.441 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.5 mttm -64.27 -43.61 94.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.086 179.937 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -58.78 -35.89 73.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.875 0.369 . . . . 0.0 110.771 179.905 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.475 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 26.5 mm-40 -90.26 -19.89 23.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.231 -179.891 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.3 p -72.45 -31.42 65.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.78 0.324 . . . . 0.0 110.605 179.739 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 mt -68.44 -33.7 74.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.455 -179.654 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.7 pp -86.22 -15.67 40.1 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.651 0.262 . . . . 0.0 110.845 179.643 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.515 HD22 ' HB3' ' A' ' 51' ' ' LEU . 35.1 mt -90.72 4.86 50.35 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 120.786 0.326 . . . . 0.0 110.798 179.377 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.527 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 2.6 t-80 -90.15 137.72 27.74 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.435 179.921 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.527 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 18.5 Cg_endo -60.03 -13.94 25.8 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.6 2.2 . . . . 0.0 112.766 -179.86 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.77 -18.5 34.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.672 0.272 . . . . 0.0 110.907 179.562 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -117.54 30.21 7.41 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.026 -179.944 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 75.51 42.14 28.04 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.705 179.83 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -122.13 167.24 14.7 Favored Glycine 0 C--N 1.329 0.155 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 179.871 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.8 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -90.19 154.71 19.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.705 0.288 . . . . 0.0 110.637 179.938 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.481 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 10.4 t-160 -83.23 -29.69 28.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.025 -179.941 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.94 -34.54 44.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.401 -179.786 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.8 HD13 ' HB2' ' A' ' 48' ' ' SER . 1.6 mp -63.74 -51.35 65.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.783 -179.878 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.414 ' HE2' ' O ' ' A' ' 52' ' ' MET . 10.8 tpt -57.22 -30.98 65.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.98 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 12.6 mm-40 -80.45 -39.29 28.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.775 179.931 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -59.99 -49.53 77.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.853 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.673 HD12 HD12 ' A' ' 13' ' ' LEU . 13.4 tp -66.33 -32.84 74.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.706 179.826 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.1 -35.37 76.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.605 179.852 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.78 -40.99 79.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.478 179.613 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.715 ' HA ' HD23 ' A' ' 5' ' ' LEU . 6.0 mt -70.83 -28.89 64.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.564 179.76 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.564 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 70.1 t-105 -90.49 -20.01 23.19 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 179.255 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.03 -63.95 2.42 Favored Glycine 0 C--N 1.336 0.57 0 C-N-CA 121.062 -0.59 . . . . 0.0 112.294 179.388 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.532 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -53.3 -49.48 66.93 Favored 'General case' 0 CA--C 1.51 -0.58 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 179.143 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.541 ' O ' HG23 ' A' ' 66' ' ' VAL . 2.0 t80 -45.27 -50.67 11.66 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 113.428 -1.715 . . . . 0.0 109.322 177.644 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.598 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 0.9 OUTLIER -59.4 -35.71 74.46 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.31 -1.314 . . . . 0.0 110.81 179.546 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.473 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 26.2 m -51.95 -36.58 49.85 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.102 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 69' ' ' LEU . 2.1 mm-40 -83.67 -28.85 28.08 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.12 -0.946 . . . . 0.0 109.047 177.774 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.985 ' HA ' HD23 ' A' ' 69' ' ' LEU . 74.1 t -63.79 -62.07 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.101 179.6 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.473 ' CE2' ' HA ' ' A' ' 64' ' ' THR . 1.4 p90 -50.95 -28.42 9.75 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.986 0.422 . . . . 0.0 110.734 -179.802 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -90.77 -23.14 20.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.07 179.512 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.985 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -59.08 -32.67 70.0 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.836 0.35 . . . . 0.0 110.801 -179.553 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -76.97 1.02 18.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.888 -179.795 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -110.38 20.93 17.26 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.834 179.686 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -111.01 -33.44 6.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.914 -179.866 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.9 tt -82.3 87.63 6.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.687 -179.983 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 140.36 -41.72 1.27 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.388 179.973 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.09 175.13 33.25 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.429 -179.966 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 24.9 p -77.41 126.39 30.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 0.0 110.797 -179.833 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -169.52 65.91 0.17 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.44 179.889 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -98.89 82.19 2.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.919 0.39 . . . . 0.0 110.696 -179.978 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.908 179.899 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpp? . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.783 0.325 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -62.41 -174.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.744 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.8 mtt180 -101.66 80.76 2.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.977 179.965 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.7 m -138.0 124.14 26.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.254 0.549 . . . . 0.0 111.209 179.81 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.739 ' HB2' ' CB ' ' A' ' 9' ' ' ASP . 1.9 pt? -88.05 138.58 31.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.725 -179.975 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.6 p -77.11 178.51 6.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.417 -179.031 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.6 ttt-85 -56.19 -32.91 64.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.709 179.798 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.61 -37.19 76.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.99 179.915 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.739 ' CB ' ' HB2' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -64.72 -60.26 3.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.895 -179.998 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.456 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -57.51 -37.8 73.6 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.266 0.555 . . . . 0.0 109.767 179.638 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -68.96 -26.7 65.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.753 178.47 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.2 -30.46 25.76 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.174 179.356 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.661 ' O ' HD23 ' A' ' 17' ' ' LEU . 1.5 tp -67.42 -32.6 73.59 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.021 179.302 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.857 HD22 ' O ' ' A' ' 19' ' ' LEU . 16.1 mt -69.58 -40.97 76.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.792 179.73 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -54.31 -47.27 72.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.717 179.924 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.464 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 0.4 OUTLIER -78.39 -15.65 58.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.997 179.697 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.661 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.3 mm? -90.49 -6.57 54.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.727 -179.999 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 mttp 53.37 20.14 1.86 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.34 0.591 . . . . 0.0 110.108 -178.846 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.857 ' O ' HD22 ' A' ' 14' ' ' LEU . 3.6 tt -112.12 110.03 54.11 Favored Pre-proline 0 N--CA 1.449 -0.507 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.16 -179.062 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.42 ' O ' HD13 ' A' ' 23' ' ' LEU . 76.0 Cg_exo -49.57 170.06 0.1 Allowed 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.638 2.226 . . . . 0.0 113.095 -179.03 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.453 ' HG3' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -89.71 -8.93 51.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.08 179.489 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.32 -36.34 74.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.157 0.503 . . . . 0.0 110.752 -179.397 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.744 HD21 ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -100.76 11.82 38.76 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.153 179.839 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.679 ' HE3' HD21 ' A' ' 14' ' ' LEU . 66.5 t-105 -51.73 92.54 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.243 179.364 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 161.15 -27.14 0.28 Allowed Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.812 179.868 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -76.6 87.74 3.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.815 0.34 . . . . 0.0 111.133 -179.747 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.832 ' CD1' HG11 ' A' ' 66' ' ' VAL . 28.0 t80 -44.46 -46.98 9.92 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.699 -179.967 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.31 -34.45 67.83 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.953 -179.595 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.593 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -75.43 -55.41 5.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.664 0.269 . . . . 0.0 111.043 -179.727 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.803 ' HA ' HD13 ' A' ' 19' ' ' LEU . 10.1 ptp -56.21 -46.64 79.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.223 -179.789 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -59.92 -34.48 73.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.898 0.38 . . . . 0.0 110.693 179.838 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -60.52 -41.91 95.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.559 179.638 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.421 ' HB1' ' OE1' ' A' ' 37' ' ' GLN . . . -75.53 -41.68 54.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.848 179.677 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.487 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 10.0 t80 -49.3 -48.67 46.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.551 179.644 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.7 mmtt -69.22 -33.03 72.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.676 179.681 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -66.56 -51.68 53.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.95 -179.984 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 13.2 mp0 -74.88 -20.1 59.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.809 0.338 . . . . 0.0 111.326 -179.72 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.4 -28.05 68.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.525 179.415 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.6 mt -77.98 -30.47 50.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.272 -179.845 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.429 ' HG ' ' HA ' ' A' ' 37' ' ' GLN . 1.5 pp -89.67 -17.07 29.08 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.675 0.274 . . . . 0.0 110.961 179.524 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 73.0 mt -94.92 14.81 20.43 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.875 0.369 . . . . 0.0 110.267 178.681 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.557 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 9.1 t-80 -86.76 137.61 33.66 Favored Pre-proline 0 C--N 1.332 -0.173 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.573 -179.863 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.557 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 29.0 Cg_endo -62.67 -9.66 16.87 Favored 'Trans proline' 0 CA--C 1.531 0.331 0 C-N-CA 122.835 2.357 . . . . 0.0 113.257 -179.466 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -90.16 -27.1 19.81 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.691 0.282 . . . . 0.0 111.187 179.913 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt -95.46 31.08 2.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.088 -179.974 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.84 33.4 83.98 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.438 -179.845 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -103.0 -179.47 26.39 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.529 179.936 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.72 ' HB2' HD12 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -90.2 148.13 23.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.332 . . . . 0.0 111.001 -179.972 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -83.21 -45.27 14.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.899 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.91 -18.72 65.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.703 -179.909 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.72 HD12 ' HB2' ' A' ' 48' ' ' SER . 7.4 mt -76.22 -49.13 17.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.762 0.315 . . . . 0.0 111.088 -179.799 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.67 -49.77 56.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.098 -179.909 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.437 ' HA ' ' OD1' ' A' ' 56' ' ' ASN . 0.9 OUTLIER -64.77 -19.63 65.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.993 179.76 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.599 ' O ' HD12 ' A' ' 58' ' ' LEU . 3.3 tt0 -76.17 -29.95 57.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 110.707 179.906 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.487 ' HG ' ' CE2' ' A' ' 34' ' ' TYR . 7.3 tp -80.14 -54.38 5.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.332 -179.647 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.437 ' OD1' ' HA ' ' A' ' 53' ' ' GLN . 9.1 p30 -58.36 -45.22 88.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.679 0.276 . . . . 0.0 111.266 -179.46 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.7 t -61.94 -29.48 70.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.813 0.34 . . . . 0.0 110.741 179.826 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.599 ' CD2' ' HB3' ' A' ' 9' ' ' ASP . 7.4 mt -88.28 -26.88 22.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.761 179.602 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.524 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 57.7 t-105 -87.84 -15.49 36.64 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.809 179.507 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.475 ' HA2' ' HE3' ' A' ' 63' ' ' LYS . . . -79.21 -61.1 2.41 Favored Glycine 0 C--N 1.336 0.552 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.572 179.041 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.677 HG23 HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -54.85 -50.35 68.88 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 178.425 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.561 ' N ' ' CG2' ' A' ' 61' ' ' THR . 4.5 t80 -44.24 -52.67 7.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 113.519 -1.673 . . . . 0.0 109.363 177.842 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.573 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 1.1 ttmt -53.3 -39.5 64.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.304 -1.317 . . . . 0.0 111.245 179.489 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 41.4 m -47.87 -37.56 14.27 Favored 'General case' 0 CA--C 1.521 -0.138 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 178.995 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.417 ' HA ' ' ND2' ' A' ' 68' ' ' ASN . 2.4 mm-40 -85.71 -31.17 22.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.73 178.375 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.946 ' HA ' HD23 ' A' ' 69' ' ' LEU . 99.0 t -58.17 -38.25 67.02 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.154 179.966 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.24 -35.64 81.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.846 -179.755 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.417 ' ND2' ' HA ' ' A' ' 65' ' ' GLU . 20.8 p30 -90.73 -16.98 27.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.592 179.985 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.946 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -59.48 -29.79 68.08 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.717 0.294 . . . . 0.0 110.731 -179.495 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -74.0 0.98 11.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.078 0.466 . . . . 0.0 111.812 -179.713 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.5 mtt -102.8 -23.81 13.75 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.612 179.44 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -69.96 106.73 3.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.942 179.909 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.9 pp -119.05 7.37 11.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.334 179.799 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 165.28 -176.1 40.98 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.624 -179.996 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.4 -19.69 59.97 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.799 -179.988 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.5 m -90.78 113.73 25.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.749 0.309 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -136.28 -48.75 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.705 -179.884 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -155.39 98.54 1.98 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.946 0.403 . . . . 0.0 111.189 -179.781 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.66 179.812 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.912 0.387 . . . . 0.0 111.27 . . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -171.04 -64.8 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.511 179.867 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.53 89.48 6.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.278 179.481 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 25.4 m -138.5 122.57 20.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.157 0.503 . . . . 0.0 110.962 -179.835 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.847 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER -88.51 144.4 26.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.385 0.612 . . . . 0.0 112.229 179.885 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.1 p -90.12 -175.71 4.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.565 -179.934 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.402 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -55.98 -38.63 70.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.007 179.856 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.96 -32.36 73.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.733 -179.475 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.847 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 27.1 m-20 -85.65 -50.45 7.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.144 -179.725 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.551 ' HE2' ' CZ2' ' A' ' 24' ' ' TRP . 0.6 OUTLIER -57.89 -34.66 70.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.91 0.386 . . . . 0.0 110.164 179.659 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -69.57 -31.47 69.67 Favored 'General case' 0 C--O 1.233 0.184 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.702 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.426 ' HB3' ' O ' ' A' ' 9' ' ' ASP . 20.2 ttt180 -61.82 -34.88 76.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.282 178.627 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.719 ' O ' HD23 ' A' ' 17' ' ' LEU . 3.3 tp -68.21 -31.38 70.85 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.562 178.583 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.807 HD22 ' O ' ' A' ' 19' ' ' LEU . 12.4 mt -73.71 -41.62 62.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.86 179.668 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -53.05 -45.28 67.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.689 -179.942 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.444 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -77.71 -17.45 57.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.868 179.707 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.719 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.5 mm? -89.0 -8.97 53.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.976 -179.548 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 53.96 20.05 2.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.302 0.572 . . . . 0.0 110.168 -178.847 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.809 HD13 ' HA ' ' A' ' 30' ' ' MET . 4.1 tt -108.92 109.07 61.06 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.797 -179.199 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.466 ' O ' HD13 ' A' ' 23' ' ' LEU . 78.1 Cg_exo -48.88 165.08 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.795 2.33 . . . . 0.0 113.438 -178.629 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.506 ' HG3' HD12 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -83.9 -3.11 57.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.911 179.342 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -77.67 -33.68 53.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.032 0.444 . . . . 0.0 111.014 -179.022 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.795 ' O ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -109.67 20.06 18.51 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.874 179.805 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.67 ' HE3' HD21 ' A' ' 14' ' ' LEU . 58.2 t-105 -53.12 -19.21 2.69 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.672 179.522 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.31 -14.06 79.45 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.798 -0.715 . . . . 0.0 113.262 -179.794 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -81.56 119.76 24.19 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.831 0.316 . . . . 0.0 111.214 -179.705 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.687 ' CE1' HG11 ' A' ' 66' ' ' VAL . 23.9 t80 -79.28 -41.68 27.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.206 -179.924 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.78 -29.13 74.45 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.892 -179.598 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.752 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -79.18 -43.78 23.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.618 0.246 . . . . 0.0 111.41 -179.552 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.809 ' HA ' HD13 ' A' ' 19' ' ' LEU . 18.1 ptp -62.54 -45.78 91.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.264 -179.636 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -66.0 -33.65 76.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.7 0.286 . . . . 0.0 110.779 -179.991 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -42.68 99.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.496 179.641 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.489 ' HB3' ' CD1' ' A' ' 17' ' ' LEU . . . -74.65 -38.01 62.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.895 179.835 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.482 ' CE2' ' HG ' ' A' ' 55' ' ' LEU . 9.0 t80 -54.31 -45.41 72.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.638 179.805 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.37 -28.63 62.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.966 -179.872 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -66.76 -45.96 76.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.941 -179.922 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 32.2 mm-40 -78.4 -19.16 53.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.221 179.996 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.7 m -65.7 -28.41 69.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.667 179.505 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.62 -32.14 60.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 -179.866 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.661 HD12 ' HG ' ' A' ' 41' ' ' LEU . 3.6 pp -89.95 -19.04 24.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.193 179.958 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.661 ' HG ' HD12 ' A' ' 40' ' ' LEU . 15.4 mt -94.46 15.09 18.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.615 179.327 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.436 ' ND1' ' HD2' ' A' ' 43' ' ' PRO . 77.7 t60 -89.06 135.11 32.03 Favored Pre-proline 0 N--CA 1.455 -0.217 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.726 -179.86 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.436 ' HD2' ' ND1' ' A' ' 42' ' ' HIS . 82.7 Cg_exo -44.85 -27.25 2.35 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.878 2.385 . . . . 0.0 113.072 -179.879 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -83.18 -22.43 33.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.693 0.282 . . . . 0.0 111.585 -179.474 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.61 31.13 5.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.92 -179.737 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 68.76 35.43 80.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.424 -179.972 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -98.67 152.3 19.7 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.544 -179.994 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.708 ' HB2' HD13 ' A' ' 51' ' ' LEU . 1.6 m -89.31 158.04 17.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.757 0.313 . . . . 0.0 110.689 179.944 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.465 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 1.9 t60 -75.67 -63.91 1.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.721 -179.975 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.48 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -50.15 -35.15 24.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.276 179.965 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.708 HD13 ' HB2' ' A' ' 48' ' ' SER . 0.2 OUTLIER -65.86 -50.24 65.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.221 -179.761 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 10.3 tpt -65.11 -39.08 92.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.302 -179.593 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 8.7 mm100 -73.26 -33.71 65.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.779 0.323 . . . . 0.0 110.971 -179.901 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.48 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 0.5 OUTLIER -62.7 -40.56 97.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.372 . . . . 0.0 110.776 179.953 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.577 HD11 HD21 ' A' ' 17' ' ' LEU . 11.2 tp -65.34 -43.65 90.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.822 -179.865 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.84 -35.28 79.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.653 179.831 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.64 -38.75 70.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.718 179.881 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.524 HD23 ' CD2' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -78.06 -27.34 48.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.618 179.852 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.599 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 59.8 t-105 -88.91 -23.62 22.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.083 179.827 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.4 -63.66 3.16 Favored Glycine 0 C--N 1.334 0.425 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.936 179.193 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.547 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -52.55 -49.88 64.01 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 179.166 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.547 ' N ' ' CG2' ' A' ' 61' ' ' THR . 4.3 t80 -46.34 -54.97 7.99 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 113.265 -1.789 . . . . 0.0 109.4 177.65 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.615 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 0.1 OUTLIER -51.11 -41.24 59.9 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.279 -1.328 . . . . 0.0 111.113 179.854 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.1 m -49.21 -37.09 21.73 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.79 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 69' ' ' LEU . 1.8 mm-40 -85.65 -30.55 23.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.608 178.083 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.963 ' HA ' HD23 ' A' ' 69' ' ' LEU . 72.9 t -58.44 -53.38 47.31 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.285 -179.993 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -54.83 -33.25 61.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.756 179.842 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -90.75 -18.45 24.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.768 -179.845 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.963 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -64.71 -34.19 77.72 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.838 0.352 . . . . 0.0 110.546 -179.107 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -72.74 0.96 9.39 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.776 -179.949 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -104.49 -25.0 12.96 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.447 179.361 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -73.7 128.88 36.72 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.794 179.783 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -116.24 -37.0 3.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.956 179.959 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -165.39 -158.47 10.64 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.57 -179.962 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 175.53 -37.05 0.1 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.388 179.983 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.46 136.86 47.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.793 0.33 . . . . 0.0 110.846 179.785 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 143.33 -58.84 0.54 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.389 -179.873 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.95 179.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 0.0 110.871 179.916 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 -179.92 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 ttt . . . . . 0 N--CA 1.485 1.323 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.72 136.2 55.16 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.805 0.336 . . . . 0.0 110.919 179.925 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.12 95.11 5.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.741 179.915 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 19.7 m -69.87 127.54 31.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.143 0.497 . . . . 0.0 110.862 179.779 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.849 HD13 ' HB3' ' A' ' 10' ' ' LYS . 0.6 OUTLIER -90.29 140.5 29.63 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.822 -179.821 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.1 p -90.06 -173.01 3.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.7 ttp-105 -57.83 -32.87 68.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.282 -179.925 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.87 -38.04 58.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.62 -179.502 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.602 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 2.8 m-20 -76.27 -51.79 11.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.291 -179.609 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.849 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -58.39 -32.29 68.48 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.804 0.335 . . . . 0.0 110.29 179.826 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.438 ' HG2' ' HD2' ' A' ' 10' ' ' LYS . 1.6 mm-40 -66.62 -36.21 82.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.139 0.495 . . . . 0.0 109.699 178.809 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -66.15 -37.21 85.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.899 179.24 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.843 HD12 HD12 ' A' ' 55' ' ' LEU . 2.0 tp -60.82 -31.07 70.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.997 179.009 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.799 HD22 ' O ' ' A' ' 19' ' ' LEU . 12.4 mt -70.47 -37.51 74.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.797 179.665 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -55.31 -49.13 72.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.583 179.779 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mp -72.54 -14.44 61.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.008 179.537 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.764 HD23 ' O ' ' A' ' 13' ' ' LEU . 2.5 mm? -90.14 -10.73 43.47 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.996 -179.771 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.14 19.05 2.64 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.331 0.586 . . . . 0.0 110.011 -178.876 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.818 HD21 HD21 ' A' ' 23' ' ' LEU . 3.5 tt -113.08 111.5 50.51 Favored Pre-proline 0 N--CA 1.45 -0.468 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.69 -179.129 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.432 ' O ' HD13 ' A' ' 23' ' ' LEU . 86.1 Cg_exo -44.49 167.28 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.755 2.303 . . . . 0.0 113.553 -178.745 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.409 ' HA ' ' CD1' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -90.12 -12.16 39.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.203 179.745 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.84 -35.17 74.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.006 -179.354 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.818 HD21 HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -97.63 5.71 49.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.36 179.856 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.491 ' HE3' HD21 ' A' ' 14' ' ' LEU . 44.3 t-105 -47.49 93.53 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.356 179.546 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 162.35 -30.01 0.28 Allowed Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.812 179.889 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -72.57 90.64 1.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.787 0.327 . . . . 0.0 111.047 -179.768 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.677 ' CE1' HG11 ' A' ' 66' ' ' VAL . 16.2 t80 -46.11 -40.34 10.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.754 -179.886 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.51 -38.11 95.26 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.817 -0.706 . . . . 0.0 113.168 -179.467 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.4 mmt85 -79.37 -49.42 12.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.724 0.262 . . . . 0.0 111.676 -179.311 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.607 ' HA ' HD13 ' A' ' 19' ' ' LEU . 15.1 ptp -58.1 -44.33 87.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.681 0.277 . . . . 0.0 111.224 -179.564 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -66.66 -34.82 78.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.724 0.297 . . . . 0.0 110.625 179.858 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.44 -44.4 97.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.208 179.529 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.584 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -71.2 -40.67 71.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.698 179.593 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.439 ' HB2' HD11 ' A' ' 17' ' ' LEU . 10.9 t80 -53.06 -55.5 23.34 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.536 179.668 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.474 ' O ' HD12 ' A' ' 39' ' ' LEU . 6.4 mmtt -63.75 -30.92 71.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.894 179.904 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.35 -34.47 63.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 -179.79 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.501 ' O ' HD12 ' A' ' 41' ' ' LEU . 13.4 mm100 -90.07 -21.12 22.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.385 -179.637 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 93.1 p -69.85 -28.8 65.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.837 0.351 . . . . 0.0 110.813 179.697 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -69.96 -38.44 76.09 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.175 -179.782 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.5 pp -84.15 -10.51 57.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.656 0.265 . . . . 0.0 111.055 179.616 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.52 HD22 ' HB3' ' A' ' 51' ' ' LEU . 9.7 mt -94.31 -8.29 39.41 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.833 0.349 . . . . 0.0 111.307 179.741 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.508 ' ND1' ' HD2' ' A' ' 43' ' ' PRO . 24.8 t60 -66.78 141.57 96.93 Favored Pre-proline 0 CA--C 1.532 0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.249 179.424 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.508 ' HD2' ' ND1' ' A' ' 42' ' ' HIS . 32.9 Cg_endo -65.45 -12.25 34.12 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.65 2.234 . . . . 0.0 113.614 -178.789 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.04 -20.77 23.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.691 0.281 . . . . 0.0 111.179 -179.987 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.473 ' HD3' ' HB3' ' A' ' 42' ' ' HIS . 4.2 mptt -100.93 24.32 9.45 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.726 0.298 . . . . 0.0 110.974 179.881 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 88.5 -17.54 48.12 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.671 -0.776 . . . . 0.0 113.046 179.765 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 43' ' ' PRO . . . -63.72 161.1 36.42 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.532 -179.727 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.403 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -90.35 154.41 19.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.739 0.304 . . . . 0.0 110.913 179.872 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -77.52 -46.94 20.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.796 179.848 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.06 -27.78 34.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.273 179.985 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.52 ' HB3' HD22 ' A' ' 41' ' ' LEU . 3.0 mp -78.85 -52.02 8.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.821 179.91 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 8.8 tpt -58.28 -28.15 64.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.009 179.83 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -71.72 -35.85 70.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.74 179.849 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -64.31 -53.75 43.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.843 HD12 HD12 ' A' ' 13' ' ' LEU . 11.4 tp -52.99 -51.1 62.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.213 -179.956 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -60.15 -33.56 72.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.91 -41.61 42.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.731 179.929 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.587 ' HA ' HD23 ' A' ' 5' ' ' LEU . 3.3 mt -75.82 -26.64 57.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.822 179.942 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.537 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 65.0 t-105 -89.9 -24.66 21.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.129 179.874 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.46 ' HA2' ' NZ ' ' A' ' 63' ' ' LYS . . . -69.16 -64.43 3.0 Favored Glycine 0 C--N 1.335 0.474 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.274 179.522 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.606 ' CG2' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -52.86 -49.59 65.5 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 179.138 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.539 ' N ' ' CG2' ' A' ' 61' ' ' THR . 3.6 t80 -45.33 -51.28 11.3 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 113.46 -1.7 . . . . 0.0 109.401 177.647 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.566 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 0.2 OUTLIER -55.71 -36.92 67.72 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.184 -1.371 . . . . 0.0 111.16 179.704 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 40.1 m -47.76 -38.03 14.64 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 109.165 -0.679 . . . . 0.0 109.165 179.214 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -85.61 -30.74 23.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.926 178.252 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.962 ' HA ' HD23 ' A' ' 69' ' ' LEU . 82.2 t -58.17 -49.18 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.221 -179.927 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -56.09 -37.25 69.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.236 -179.728 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 18.3 p30 -90.0 -13.49 35.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.715 -179.97 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.962 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -64.11 -35.22 80.05 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.866 0.365 . . . . 0.0 110.259 -179.903 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.417 ' HG3' ' HG ' ' A' ' 69' ' ' LEU . 2.2 mtp85 -78.12 0.99 22.66 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.816 -179.99 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.0 mtt -104.22 -26.59 12.46 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.096 -179.923 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -67.66 118.51 11.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.856 0.36 . . . . 0.0 110.623 179.933 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.519 ' C ' HD23 ' A' ' 73' ' ' LEU . 7.9 tt -129.98 -67.35 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.039 -179.854 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 164.86 78.15 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.564 179.924 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 141.19 173.16 13.48 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.477 -179.965 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 51.9 p -117.39 -38.62 3.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.834 0.349 . . . . 0.0 110.984 179.941 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.11 -71.92 0.29 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.447 179.949 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -76.39 125.34 29.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.77 0.319 . . . . 0.0 110.769 179.972 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.833 -179.994 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.858 0.361 . . . . 0.0 111.385 . . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -125.34 -32.2 2.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 179.939 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.79 91.83 7.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.529 179.931 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 29.3 m -131.28 124.62 55.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.82 -179.669 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.832 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.3 OUTLIER -85.44 148.06 26.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.149 179.167 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.4 p -90.43 -177.16 5.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.025 -179.166 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 31.4 ttm105 -57.86 -32.75 67.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.508 179.605 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.413 ' HA ' ' HG2' ' A' ' 11' ' ' GLU . . . -70.66 -33.28 70.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.76 -179.672 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.832 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 19.1 m-20 -85.46 -48.67 8.76 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 121.168 -0.213 . . . . 0.0 111.255 -179.517 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.483 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -60.87 -34.0 73.95 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.49 179.835 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.413 ' HG2' ' HA ' ' A' ' 8' ' ' ALA . 0.2 OUTLIER -68.99 -29.37 67.57 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.074 0.464 . . . . 0.0 109.844 178.939 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -67.98 -33.02 73.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.872 178.96 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.746 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.8 tp -66.68 -35.38 80.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.088 179.2 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.813 HD22 ' O ' ' A' ' 19' ' ' LEU . 14.6 mt -69.58 -37.02 76.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.692 179.774 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.88 -44.11 81.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.519 179.738 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.429 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 10.0 mp -80.46 -16.27 54.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.906 179.481 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.803 ' CD2' HD11 ' A' ' 55' ' ' LEU . 2.6 mm? -89.98 -8.64 51.19 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.284 -0.416 . . . . 0.0 112.063 -179.823 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.47 19.89 2.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.301 0.572 . . . . 0.0 109.963 -178.64 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.83 HD13 ' HA ' ' A' ' 30' ' ' MET . 3.6 tt -111.96 108.96 55.2 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.111 -0.95 . . . . 0.0 109.734 -179.416 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.425 ' O ' HD13 ' A' ' 23' ' ' LEU . 73.9 Cg_exo -49.32 169.92 0.1 OUTLIER 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.608 2.206 . . . . 0.0 113.245 -178.794 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.05 -6.56 55.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.009 179.333 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.95 -35.62 66.99 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.125 0.488 . . . . 0.0 110.695 -179.658 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.731 HD21 ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -101.75 10.53 39.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.057 179.7 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.59 ' HE3' HD21 ' A' ' 14' ' ' LEU . 48.8 t-105 -53.18 114.19 1.38 Allowed 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.388 179.743 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 140.58 -24.78 2.62 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.652 -0.785 . . . . 0.0 113.069 179.611 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -76.21 92.28 3.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.828 0.347 . . . . 0.0 111.316 -179.749 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.724 ' CE1' HG11 ' A' ' 66' ' ' VAL . 22.3 t80 -49.18 -32.44 10.31 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.7 179.982 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.94 -38.13 60.27 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.662 -0.78 . . . . 0.0 113.032 -179.578 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.481 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -82.25 -41.14 20.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.715 0.257 . . . . 0.0 111.629 -179.36 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.83 ' HA ' HD13 ' A' ' 19' ' ' LEU . 8.9 ptp -63.46 -46.76 84.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.678 0.275 . . . . 0.0 110.982 -179.753 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.439 ' HG2' ' HE3' ' A' ' 35' ' ' LYS . 38.1 tt0 -65.9 -36.32 83.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.813 0.34 . . . . 0.0 110.586 179.749 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -59.22 -34.93 72.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.072 0.463 . . . . 0.0 110.282 179.451 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.705 ' HB3' HD12 ' A' ' 17' ' ' LEU . . . -76.54 -38.71 54.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.505 179.477 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.482 ' HE2' ' HB3' ' A' ' 59' ' ' TRP . 10.8 t80 -56.74 -44.67 81.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.756 179.944 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.439 ' HE3' ' HG2' ' A' ' 31' ' ' GLN . 5.5 mtmt -73.64 -29.74 62.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.771 179.715 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -71.97 -35.11 69.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 32.3 mm-40 -89.26 -19.56 25.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.203 -179.892 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -76.09 -30.97 58.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.598 179.586 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.406 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 0.2 OUTLIER -69.01 -30.92 69.41 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.473 -179.613 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 37' ' ' GLN . 3.2 pp -89.85 -17.59 27.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.707 0.289 . . . . 0.0 111.149 -179.954 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 41' ' ' LEU . 20.6 mt -95.17 -2.62 49.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.161 179.553 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.442 ' CG ' ' HD2' ' A' ' 43' ' ' PRO . 12.1 t60 -75.26 141.86 74.48 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 120.711 0.291 . . . . 0.0 110.949 -179.972 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.442 ' HD2' ' CG ' ' A' ' 42' ' ' HIS . 70.9 Cg_exo -47.21 -26.9 5.93 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 122.814 2.343 . . . . 0.0 112.668 179.951 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -79.0 -21.29 47.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.396 -179.803 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 39' ' ' LEU . 1.4 mppt? -113.23 30.66 7.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.898 -179.639 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.89 74.87 0.3 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.663 179.996 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -137.78 158.61 24.69 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.464 -179.992 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.737 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.8 OUTLIER -90.06 148.89 22.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.859 0.361 . . . . 0.0 110.978 -179.98 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -69.39 -49.27 56.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.767 179.868 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.13 -24.82 56.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.305 -179.991 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.737 HD13 ' HB2' ' A' ' 48' ' ' SER . 4.4 mp -76.14 -50.11 15.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.957 -179.895 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.479 ' HE2' ' HA ' ' A' ' 52' ' ' MET . 0.0 OUTLIER -67.12 -27.23 67.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.024 -179.953 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -73.25 -36.16 66.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.932 0.396 . . . . 0.0 110.712 179.779 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -55.51 23.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.057 -179.904 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.803 HD11 ' CD2' ' A' ' 17' ' ' LEU . 9.5 tp -55.57 -40.82 72.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.221 -179.702 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -63.1 -30.76 71.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.76 -41.96 25.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.274 -179.82 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.612 ' HB3' ' HB2' ' A' ' 13' ' ' LEU . 74.8 mt -75.31 -31.33 60.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.905 -179.744 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.613 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 62.1 t-105 -88.94 -21.64 23.47 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.45 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.28 -60.74 3.96 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.054 179.573 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.545 HG21 ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -56.79 -49.97 73.75 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 179.25 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.535 ' N ' ' CG2' ' A' ' 61' ' ' THR . 3.6 t80 -43.82 -50.1 7.96 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 113.434 -1.712 . . . . 0.0 109.486 177.758 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.613 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 0.7 OUTLIER -58.16 -39.12 78.02 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.158 -1.383 . . . . 0.0 111.284 179.571 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.418 ' HB ' ' O ' ' A' ' 61' ' ' THR . 76.7 m -47.39 -37.52 11.46 Favored 'General case' 0 CA--C 1.522 -0.117 0 CA-C-O 121.338 0.589 . . . . 0.0 109.411 179.338 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -85.35 -32.12 22.61 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.636 178.287 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 1.007 ' HA ' HD23 ' A' ' 69' ' ' LEU . 78.9 t -54.03 -40.24 44.85 Favored 'Isoleucine or valine' 0 C--O 1.231 0.115 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.011 179.951 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -62.97 -29.45 70.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.431 179.538 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -90.63 -22.66 21.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.586 -179.833 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 1.007 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -63.57 -37.73 88.42 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.732 0.301 . . . . 0.0 110.678 -179.324 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -78.72 1.11 24.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.09 0.471 . . . . 0.0 111.745 179.932 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.7 mmm -112.55 -48.8 2.99 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.773 179.91 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -59.74 108.62 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 -179.821 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.1 tp -123.51 -58.77 1.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.559 179.696 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.46 -24.66 21.88 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.821 -0.704 . . . . 0.0 113.012 179.804 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.42 -86.9 1.02 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.346 -179.833 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.3 m -69.49 126.13 28.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.802 0.334 . . . . 0.0 110.632 179.821 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -160.02 -67.76 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.47 -179.878 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -85.11 100.32 11.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.983 0.421 . . . . 0.0 110.632 -179.987 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.807 -179.851 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.687 0.28 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.7 p30 -61.75 132.95 54.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.24 86.93 4.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.649 179.827 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 19.4 m -139.31 123.04 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.067 0.46 . . . . 0.0 111.482 179.816 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.795 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . 0.4 OUTLIER -86.33 145.25 26.98 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.9 179.402 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.9 p -90.17 -171.05 2.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.744 -179.471 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.408 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 20.8 mtm-85 -57.88 -43.77 86.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.829 179.769 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.11 -49.7 76.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.548 -179.587 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.795 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 9.9 m-20 -63.82 -51.44 64.69 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.198 -0.201 . . . . 0.0 110.804 -179.906 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.436 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -60.44 -33.95 73.27 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 179.214 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 7' ' ' ARG . 9.5 mt-10 -69.01 -31.97 71.17 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.441 -0.578 . . . . 0.0 109.441 178.387 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 44.9 ttt85 -67.98 -37.28 81.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.121 179.312 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.764 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.0 tp -64.4 -30.27 71.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.209 179.224 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.756 HD22 ' O ' ' A' ' 19' ' ' LEU . 11.1 mt -70.16 -39.25 75.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.96 179.725 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -56.32 -50.6 70.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 179.905 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.426 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -72.21 -12.94 61.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.159 179.82 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.764 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.4 mm? -90.33 -10.05 45.52 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -179.524 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.402 ' HD3' ' OE1' ' A' ' 37' ' ' GLN . 1.3 mptt 54.39 19.8 2.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.385 0.612 . . . . 0.0 109.99 -178.539 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.876 HD21 HD21 ' A' ' 23' ' ' LEU . 2.7 tt -112.07 111.41 53.32 Favored Pre-proline 0 N--CA 1.448 -0.569 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.712 -179.109 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.441 ' HB2' HD12 ' A' ' 23' ' ' LEU . 87.1 Cg_exo -42.54 165.9 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.814 2.343 . . . . 0.0 113.376 -178.76 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.412 ' HA ' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -90.2 -8.95 49.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.201 179.822 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.46 -33.87 65.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.371 -179.074 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.876 HD21 HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -97.36 9.75 41.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.541 -179.876 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.468 ' HE3' HD21 ' A' ' 14' ' ' LEU . 52.9 t-105 -52.72 109.49 0.41 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.224 179.567 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 141.8 -26.16 2.38 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.722 179.797 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -78.51 91.64 4.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.771 0.32 . . . . 0.0 111.1 -179.673 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.596 ' CE1' HG11 ' A' ' 66' ' ' VAL . 21.5 t80 -46.83 -29.64 2.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.574 -179.889 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . -71.46 -37.56 62.43 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.719 -179.803 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 -79.34 -48.08 14.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.723 0.296 . . . . 0.0 111.555 -179.61 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.775 ' HA ' HD13 ' A' ' 19' ' ' LEU . 11.6 ptp -59.67 -49.74 76.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.136 -179.707 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -60.74 -36.74 79.65 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.774 0.321 . . . . 0.0 110.355 179.727 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.441 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 0.5 OUTLIER -59.35 -45.77 90.45 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.982 0.42 . . . . 0.0 110.08 179.151 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.705 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -68.11 -47.05 69.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.276 179.245 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.525 ' CE2' ' CD1' ' A' ' 59' ' ' TRP . 10.0 t80 -47.43 -48.89 26.31 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.644 179.759 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.34 -29.22 64.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.641 179.666 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -31.85 69.3 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.743 179.901 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.499 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 13.1 mm100 -85.14 -20.72 29.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.205 179.943 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.416 ' O ' ' HB2' ' A' ' 42' ' ' HIS . 5.0 m -63.81 -29.41 70.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.748 0.308 . . . . 0.0 110.773 179.905 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 mt -61.85 -31.81 72.09 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.624 -179.559 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.503 ' HG ' ' HG ' ' A' ' 41' ' ' LEU . 1.6 pp -87.23 -26.65 23.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.721 0.296 . . . . 0.0 110.68 -179.975 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.503 ' HG ' ' HG ' ' A' ' 40' ' ' LEU . 5.2 mt -95.51 1.82 54.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.075 179.351 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' A' ' 38' ' ' SER . 6.8 t60 -73.48 133.62 80.18 Favored Pre-proline 0 C--N 1.332 -0.195 0 CA-C-O 120.674 0.273 . . . . 0.0 110.774 -179.859 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -46.22 -24.92 2.73 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.942 2.428 . . . . 0.0 112.881 -179.83 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -71.83 -26.54 62.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.039 -179.842 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 45.9 mmtt -117.4 28.86 8.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.943 0.401 . . . . 0.0 110.489 179.641 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 101.2 -91.5 0.95 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.126 -179.741 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.65 133.79 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.915 179.659 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.24 146.17 24.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.78 0.324 . . . . 0.0 110.647 179.736 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -66.16 -24.59 66.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.156 -179.893 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.68 -49.15 7.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.318 -179.914 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.407 ' HB3' HD22 ' A' ' 41' ' ' LEU . 0.4 OUTLIER -55.17 -50.53 69.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.565 -179.621 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.3 tpt -55.05 -44.34 74.61 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.397 -179.542 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -75.8 -30.98 59.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.959 -179.874 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.16 -51.23 64.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.473 HD11 HD21 ' A' ' 17' ' ' LEU . 9.3 tp -62.51 -41.56 98.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.829 -179.908 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -63.62 -25.28 68.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.046 179.975 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.8 t -79.01 -49.16 13.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.355 -179.731 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.479 ' O ' ' HB2' ' A' ' 62' ' ' PHE . 9.0 mt -69.53 -26.23 64.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.107 -179.736 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.595 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 60.2 t-105 -90.44 -23.43 21.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.352 . . . . 0.0 110.142 179.619 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.07 -64.31 2.71 Favored Glycine 0 C--N 1.335 0.486 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.169 179.635 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.536 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -52.11 -49.51 63.48 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 178.919 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.536 ' N ' ' CG2' ' A' ' 61' ' ' THR . 3.2 t80 -45.45 -51.11 11.97 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 113.431 -1.713 . . . . 0.0 109.354 177.462 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.595 ' HE2' ' CD1' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -54.38 -40.93 68.65 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 114.056 -1.429 . . . . 0.0 111.303 179.743 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 54.1 m -45.81 -39.59 8.6 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.194 0.521 . . . . 0.0 109.736 179.362 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -85.43 -31.82 22.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.727 178.632 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.959 ' HA ' HD23 ' A' ' 69' ' ' LEU . 47.5 t -50.3 -55.17 6.53 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.146 -179.78 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -51.93 -28.84 17.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.963 0.411 . . . . 0.0 110.393 179.5 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -90.83 -22.46 20.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.543 -179.852 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.959 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -68.91 -13.18 62.27 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.84 -179.707 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.509 ' HA ' HH11 ' A' ' 70' ' ' ARG . 0.0 OUTLIER -83.47 0.97 44.02 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 121.093 0.473 . . . . 0.0 111.387 179.536 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.1 mtt -120.72 -35.53 3.35 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.606 179.631 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -56.86 154.54 9.18 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.721 179.765 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.1 mp -116.91 -50.11 2.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.995 -179.85 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -125.14 70.68 0.47 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.536 -179.921 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -79.5 -90.34 0.44 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.388 179.872 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 27.1 m -70.99 133.68 46.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.369 . . . . 0.0 110.809 -179.919 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 142.08 -56.21 0.58 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.488 179.986 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.16 112.32 18.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 0.0 110.845 179.915 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.034 -179.968 . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 mmt . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.856 0.36 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.85 122.22 14.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.962 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.81 89.89 2.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.694 179.917 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.8 m -83.02 124.73 39.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.362 0.601 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.78 HD13 ' HB3' ' A' ' 10' ' ' LYS . 0.6 OUTLIER -90.3 140.28 29.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.6 -179.73 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.7 p -87.38 -172.47 3.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.218 179.697 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.599 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 2.0 ttt-85 -58.07 -34.25 69.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.434 -179.645 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.36 -51.02 26.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.718 0.294 . . . . 0.0 111.584 -179.718 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.717 ' HB2' ' HB2' ' A' ' 5' ' ' LEU . 13.2 m-20 -61.06 -50.14 74.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.044 -179.668 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.78 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.4 OUTLIER -60.21 -31.94 70.63 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.397 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.596 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 1.4 tt0 -65.68 -35.65 81.36 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 178.396 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.4 tpp180 -69.72 -28.13 65.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.246 179.349 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.58 ' O ' HD23 ' A' ' 17' ' ' LEU . 1.8 tp -67.44 -32.61 73.58 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.076 179.316 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.673 HD21 ' HE3' ' A' ' 24' ' ' TRP . 20.1 mt -75.29 -37.8 60.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.85 -46.36 74.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.963 179.896 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.506 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 11.1 mp -79.54 -13.22 59.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.909 -179.934 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.796 ' O ' ' HB1' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -90.18 -9.03 49.68 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.674 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.63 19.01 3.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.405 0.621 . . . . 0.0 110.072 -178.51 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.853 HD13 ' HA ' ' A' ' 30' ' ' MET . 4.2 tt -112.89 110.09 52.09 Favored Pre-proline 0 N--CA 1.449 -0.483 0 CA-C-N 115.175 -0.921 . . . . 0.0 109.795 -179.363 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.428 ' O ' HD13 ' A' ' 23' ' ' LEU . 88.3 Cg_exo -46.55 169.39 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.994 2.463 . . . . 0.0 113.713 -178.556 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.57 -10.7 42.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.112 179.519 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -36.37 74.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.747 -179.5 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.79 HD21 HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -98.27 10.72 40.0 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.305 -179.894 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.673 ' HE3' HD21 ' A' ' 14' ' ' LEU . 60.6 t-105 -54.87 92.37 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.024 179.35 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 163.86 -27.98 0.22 Allowed Glycine 0 CA--C 1.518 0.252 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.805 179.991 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.42 ' O ' ' HG2' ' A' ' 30' ' ' MET . 12.8 t0 -78.66 101.64 7.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.635 0.255 . . . . 0.0 111.003 -179.841 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.748 ' CE1' HG11 ' A' ' 66' ' ' VAL . 25.5 t80 -54.24 -32.69 56.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.798 -179.599 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.69 -32.77 63.91 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 120.56 -0.829 . . . . 0.0 113.246 -179.212 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.576 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -82.89 -37.12 24.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.702 0.251 . . . . 0.0 111.653 -179.333 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.853 ' HA ' HD13 ' A' ' 19' ' ' LEU . 19.0 ptp -67.89 -44.81 76.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.626 0.25 . . . . 0.0 110.964 -179.773 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -64.31 -41.74 96.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.923 0.392 . . . . 0.0 110.178 179.525 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -56.04 -33.91 65.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.279 179.338 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.796 ' HB1' ' O ' ' A' ' 17' ' ' LEU . . . -79.54 -45.05 20.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.379 179.439 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.52 ' N ' HD13 ' A' ' 17' ' ' LEU . 10.8 t80 -55.02 -44.69 74.82 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.639 179.558 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.2 mttm -67.58 -37.98 83.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.087 -179.842 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -60.24 -38.28 82.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.023 -179.654 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' A' ' 16' ' ' LEU . 31.1 mm-40 -88.71 -21.8 23.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.261 -179.875 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.1 p -66.03 -33.55 76.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.793 0.33 . . . . 0.0 110.559 179.563 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.1 mt -68.59 -42.35 78.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.817 179.9 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.448 HD21 ' HA ' ' A' ' 37' ' ' GLN . 1.2 pp -81.64 -8.5 59.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.26 179.697 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.67 HD22 ' HB3' ' A' ' 51' ' ' LEU . 22.6 mt -95.24 -0.59 52.89 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 120.609 0.242 . . . . 0.0 111.389 179.723 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.414 ' CD2' ' HD2' ' A' ' 43' ' ' PRO . 4.5 t-160 -86.22 123.27 71.82 Favored Pre-proline 0 CA--C 1.532 0.275 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.768 -179.708 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.414 ' HD2' ' CD2' ' A' ' 42' ' ' HIS . 88.7 Cg_exo -42.36 -21.49 0.18 Allowed 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.833 2.355 . . . . 0.0 113.696 -179.928 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.51 -28.24 41.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.828 0.347 . . . . 0.0 111.065 -179.879 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.5 mmtt -103.97 30.22 5.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.807 179.83 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 71.2 56.24 7.13 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.601 179.928 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 43' ' ' PRO . . . -136.12 162.63 25.06 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.442 179.983 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.856 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -90.41 159.93 16.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.859 0.362 . . . . 0.0 110.815 179.943 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -81.98 -47.6 12.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.644 179.706 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.434 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . -58.77 -24.37 61.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.196 179.944 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.856 HD13 ' HB2' ' A' ' 48' ' ' SER . 0.9 OUTLIER -75.4 -50.83 14.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.333 -179.562 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -43.05 97.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.261 -179.569 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.413 ' CG ' ' HA ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -69.01 -30.29 68.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.123 -179.859 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 4.6 tt0 -61.52 -55.88 26.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.614 179.803 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' A' ' 55' ' ' LEU . 9.5 tp -56.38 -36.95 69.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.107 179.988 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -61.39 -29.36 69.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.667 179.873 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.2 t -73.54 -37.72 65.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.958 179.973 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.594 ' HA ' HD23 ' A' ' 5' ' ' LEU . 15.1 mt -83.83 -30.61 26.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.009 -179.974 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.656 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 69.1 t-105 -90.0 -17.87 27.05 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.096 -179.931 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.01 -61.82 2.95 Favored Glycine 0 C--N 1.336 0.54 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.923 179.335 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.556 ' CG2' ' HG ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -56.56 -50.18 72.66 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 179.005 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.542 ' N ' ' CG2' ' A' ' 61' ' ' THR . 4.7 t80 -44.28 -53.06 7.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 113.545 -1.661 . . . . 0.0 109.221 177.9 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.656 ' HB2' ' O ' ' A' ' 59' ' ' TRP . 2.3 ttmt -54.4 -43.52 71.52 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.383 -1.28 . . . . 0.0 111.091 179.182 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 36.4 m -48.67 -36.88 17.02 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 179.141 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -85.38 -30.86 23.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.668 178.275 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.949 ' HA ' HD23 ' A' ' 69' ' ' LEU . 54.5 t -54.06 -44.23 62.08 Favored 'Isoleucine or valine' 0 C--O 1.231 0.121 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -63.27 -29.2 70.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.434 179.798 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 44.3 m-20 -90.59 -19.51 23.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.528 179.939 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.949 HD23 ' HA ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER -61.31 -39.04 89.02 Favored 'General case' 0 CA--C 1.527 0.089 0 CA-C-O 120.733 0.302 . . . . 0.0 110.744 -179.29 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.418 ' N ' ' HG ' ' A' ' 69' ' ' LEU . 6.6 mtm180 -85.26 0.98 50.22 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.05 0.452 . . . . 0.0 111.369 179.656 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.6 mmt -117.74 -9.74 10.65 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.684 -179.605 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -101.54 -73.4 0.65 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.864 0.364 . . . . 0.0 111.152 -179.696 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -89.85 36.47 0.86 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.22 -179.958 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -86.95 34.77 3.5 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.582 179.877 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.11 111.73 1.24 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.717 179.873 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.4 p -67.54 153.0 44.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.677 0.275 . . . . 0.0 110.517 179.615 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -135.31 52.96 0.78 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.728 -179.821 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -88.45 112.29 22.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.839 0.352 . . . . 0.0 110.895 179.85 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 stop_ save_