data_1dv0_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 1dv0 _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' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.213 -0.847 0 CA-C-O 119.299 -0.381 . . . . 0.0 110.557 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.5 mm -63.67 -12.16 10.52 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.113 0 C-N-CA 119.387 -0.925 . . . . 0.0 111.722 -173.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -106.91 -28.36 10.13 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 114.531 -1.213 . . . . 0.0 111.266 177.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.12 -21.48 43.17 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 124.464 1.102 . . . . 0.0 111.67 -179.201 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.442 HD13 ' CD1' ' A' ' 23' ' ' TYR . 22.9 mt -89.16 -31.2 18.08 Favored 'General case' 0 C--N 1.346 0.452 0 CA-C-N 113.273 -1.785 . . . . 0.0 108.873 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.59 -31.88 47.35 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 111.436 -2.62 . . . . 0.0 110.169 176.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.94 -21.29 57.19 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 114.214 -1.357 . . . . 0.0 111.819 -176.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.08 -22.85 30.17 Favored 'General case' 0 CA--C 1.555 1.146 0 O-C-N 125.056 1.473 . . . . 0.0 111.053 169.298 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.74 6.46 8.58 Favored Glycine 0 CA--C 1.539 1.575 0 O-C-N 124.699 1.249 . . . . 0.0 112.911 175.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -98.03 162.8 20.93 Favored Pre-proline 0 C--N 1.347 0.474 0 O-C-N 124.423 0.719 . . . . 0.0 110.648 -175.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -78.57 141.36 17.53 Favored 'Trans proline' 0 C--N 1.359 1.117 0 C-N-CA 123.386 2.724 . . . . 0.0 113.076 173.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.43 -20.13 2.64 Favored 'General case' 0 CA--C 1.551 0.983 0 O-C-N 124.485 1.116 . . . . 0.0 113.809 -178.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 t -72.09 -38.63 69.33 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 113.998 -1.456 . . . . 0.0 111.663 -175.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.424 HD13 ' CD2' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -76.83 -26.06 53.93 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 118.757 -1.177 . . . . 0.0 111.176 173.896 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 37.2 t -65.84 -51.57 59.95 Favored 'Isoleucine or valine' 0 C--N 1.353 0.742 0 O-C-N 125.473 1.733 . . . . 0.0 109.197 -168.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -50.97 -53.12 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 111.556 -2.566 . . . . 0.0 111.4 178.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -86.83 -3.06 59.02 Favored 'General case' 0 C--O 1.218 -0.569 0 O-C-N 125.656 1.848 . . . . 0.0 112.095 -172.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.21 -18.25 19.37 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 124.558 1.161 . . . . 0.0 110.819 173.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.442 ' CD1' HD13 ' A' ' 9' ' ' LEU . 1.2 t80 -88.96 -59.07 2.33 Favored 'General case' 0 C--N 1.347 0.475 0 O-C-N 124.329 1.018 . . . . 0.0 108.371 177.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -57.88 -34.16 69.48 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 112.702 -2.045 . . . . 0.0 112.506 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.54 -34.02 65.0 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 119.546 -0.861 . . . . 0.0 111.171 177.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.42 ' HG ' ' HB2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -88.58 15.07 8.59 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.648 1.218 . . . . 0.0 112.016 179.237 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 61.63 69.04 0.67 Allowed 'General case' 0 C--N 1.358 0.974 0 CA-C-O 121.894 0.854 . . . . 0.0 110.134 -174.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 26.45 45.66 0.01 OUTLIER 'General case' 0 CA--C 1.565 1.536 0 CA-C-N 113.268 -1.787 . . . . 0.0 114.431 176.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -107.44 140.48 40.33 Favored 'General case' 0 C--O 1.212 -0.914 0 CA-C-N 114.075 -1.421 . . . . 0.0 108.527 -167.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.8 -58.11 3.96 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 124.834 1.334 . . . . 0.0 111.058 -177.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.17 -46.57 80.3 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 113.886 -1.506 . . . . 0.0 111.42 -174.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.408 ' HG ' ' SG ' ' A' ' 26' ' ' CYS . 3.8 tp -67.13 -31.32 71.69 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 113.474 -1.694 . . . . 0.0 111.707 -177.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.03 -37.44 69.75 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 124.87 1.356 . . . . 0.0 111.901 176.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.54 9.44 1.76 Allowed 'General case' 0 CA--C 1.548 0.897 0 O-C-N 124.521 1.138 . . . . 0.0 112.022 173.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -113.93 -30.97 6.55 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 114.167 -1.379 . . . . 0.0 109.105 171.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.42 ' HB2' ' HG ' ' A' ' 26' ' ' CYS . 6.1 t80 -78.69 -21.14 48.64 Favored 'General case' 0 CA--C 1.557 1.245 0 CA-C-O 123.177 1.465 . . . . 0.0 109.966 175.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.424 ' CD2' HD13 ' A' ' 18' ' ' LEU . 0.6 OUTLIER -92.32 -36.56 13.12 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 113.771 -1.559 . . . . 0.0 110.512 -176.726 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.2 mt . . . . . 0 C--N 1.347 0.486 0 O-C-N 125.114 1.509 . . . . 0.0 111.25 -168.465 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.213 -0.843 0 CA-C-O 119.167 -0.444 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 14.3 mt -69.4 -9.18 11.76 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.024 0 C-N-CA 118.974 -1.091 . . . . 0.0 112.144 -172.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -105.14 -27.15 11.77 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 123.898 0.749 . . . . 0.0 110.955 174.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.04 -23.81 38.31 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 124.705 1.253 . . . . 0.0 111.021 -178.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.468 HD13 ' CD1' ' A' ' 23' ' ' TYR . 32.2 mt -84.4 -29.9 25.82 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 112.922 -1.945 . . . . 0.0 109.063 178.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.55 -31.23 37.01 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 112.117 -2.31 . . . . 0.0 110.04 178.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.64 -20.52 59.86 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 113.75 -1.568 . . . . 0.0 111.591 -176.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.403 ' CD1' ' HA ' ' A' ' 9' ' ' LEU . 1.5 mt -57.97 -21.41 44.34 Favored 'General case' 0 CA--C 1.556 1.187 0 O-C-N 125.054 1.471 . . . . 0.0 110.875 169.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 123.9 12.31 4.51 Favored Glycine 0 CA--C 1.546 2.007 0 O-C-N 124.473 1.108 . . . . 0.0 113.055 175.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -107.9 161.02 24.72 Favored Pre-proline 0 CA--C 1.544 0.735 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 -172.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -84.64 148.76 11.21 Favored 'Trans proline' 0 CA--C 1.547 1.169 0 C-N-CA 124.932 3.754 . . . . 0.0 113.3 170.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -52.67 -17.85 1.51 Allowed 'General case' 0 C--N 1.361 1.093 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.82 -44.18 50.68 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 124.284 0.99 . . . . 0.0 112.103 -174.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 pp -83.5 -20.12 34.52 Favored 'General case' 0 C--N 1.355 0.814 0 O-C-N 124.417 1.073 . . . . 0.0 111.14 177.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.1 t -66.79 -49.56 73.24 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 O-C-N 125.382 1.676 . . . . 0.0 110.014 -178.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -56.18 -54.04 32.24 Favored 'Isoleucine or valine' 0 C--N 1.351 0.641 0 CA-C-N 113.01 -1.905 . . . . 0.0 110.75 -177.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -71.95 -23.08 61.39 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 112.785 -2.007 . . . . 0.0 110.655 -177.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.68 -48.42 59.77 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 118.627 -1.229 . . . . 0.0 110.787 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.468 ' CD1' HD13 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -62.52 -50.91 69.5 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 124.502 1.126 . . . . 0.0 110.212 -178.392 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -62.53 -37.82 87.58 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 112.366 -2.197 . . . . 0.0 112.126 -177.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.77 -29.87 63.66 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 124.392 1.058 . . . . 0.0 110.977 176.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -91.57 8.89 34.47 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 124.935 1.397 . . . . 0.0 112.04 177.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 62.37 74.32 0.44 Allowed 'General case' 0 C--N 1.359 1.02 0 O-C-N 123.823 0.702 . . . . 0.0 111.067 -175.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 27.21 42.0 0.0 OUTLIER 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 126.119 1.768 . . . . 0.0 114.291 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -102.13 149.23 24.49 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 114.836 -1.075 . . . . 0.0 108.188 -170.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.43 -54.6 4.1 Favored 'General case' 0 C--N 1.345 0.398 0 O-C-N 125.229 1.581 . . . . 0.0 110.36 -173.358 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -67.0 -45.82 76.42 Favored 'General case' 0 C--N 1.347 0.464 0 CA-C-N 113.348 -1.751 . . . . 0.0 110.928 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 tp -65.87 -32.68 74.33 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 125.206 1.566 . . . . 0.0 111.363 -177.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.25 -36.57 71.82 Favored 'General case' 0 C--N 1.354 0.804 0 O-C-N 125.135 1.522 . . . . 0.0 112.215 176.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.43 10.73 1.5 Allowed 'General case' 0 CA--C 1.549 0.931 0 O-C-N 124.541 1.151 . . . . 0.0 111.844 173.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -116.31 -30.43 5.93 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 113.951 -1.477 . . . . 0.0 109.277 172.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -79.89 -23.36 41.9 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-O 122.82 1.295 . . . . 0.0 109.272 175.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.21 -42.53 13.74 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 113.877 -1.51 . . . . 0.0 110.281 -178.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.8 mt . . . . . 0 CA--C 1.544 0.728 0 CA-C-N 113.719 -1.582 . . . . 0.0 112.47 -166.899 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.21 -0.987 0 CA-C-O 119.115 -0.469 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.6 mt -56.78 -44.65 82.19 Favored 'Isoleucine or valine' 0 C--N 1.359 1.012 0 C-N-CA 118.52 -1.272 . . . . 0.0 111.199 -175.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.22 -23.6 54.59 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 119.019 -1.072 . . . . 0.0 112.361 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.11 -23.33 38.46 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 114.351 -1.295 . . . . 0.0 111.506 -176.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.441 ' CD1' ' CD1' ' A' ' 23' ' ' TYR . 15.6 mt -88.71 -29.31 19.95 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 112.973 -1.921 . . . . 0.0 108.338 178.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.0 -32.39 57.16 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 112.949 -1.932 . . . . 0.0 110.019 176.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.76 -21.65 59.22 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-N 113.665 -1.607 . . . . 0.0 111.652 -174.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.51 -23.87 52.72 Favored 'General case' 0 CA--C 1.555 1.159 0 O-C-N 124.896 1.372 . . . . 0.0 110.883 169.293 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.16 -1.52 5.79 Favored Glycine 0 CA--C 1.545 1.957 0 O-C-N 124.668 1.23 . . . . 0.0 113.182 175.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -93.54 163.22 25.26 Favored Pre-proline 0 C--O 1.204 -1.297 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -175.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -81.87 143.9 13.38 Favored 'Trans proline' 0 C--N 1.379 2.153 0 C-N-CA 123.231 2.621 . . . . 0.0 113.158 170.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -53.86 -20.02 5.28 Favored 'General case' 0 C--N 1.363 1.163 0 O-C-N 124.088 0.867 . . . . 0.0 113.111 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 43.1 t -70.9 -44.35 66.44 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.819 -177.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 pp -78.43 -22.9 47.01 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 124.224 0.953 . . . . 0.0 111.029 176.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.0 t -66.74 -50.42 65.87 Favored 'Isoleucine or valine' 0 C--N 1.352 0.706 0 O-C-N 125.48 1.737 . . . . 0.0 110.001 -175.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -52.36 -53.35 19.78 Favored 'Isoleucine or valine' 0 C--N 1.349 0.576 0 O-C-N 125.77 1.918 . . . . 0.0 110.951 -176.364 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -76.7 -21.98 54.59 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 112.726 -2.034 . . . . 0.0 111.09 -177.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.4 -22.13 44.71 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 119.219 -0.992 . . . . 0.0 112.023 178.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.441 ' CD1' ' CD1' ' A' ' 9' ' ' LEU . 1.2 t80 -85.96 -50.49 7.04 Favored 'General case' 0 C--N 1.346 0.438 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 178.13 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -65.51 -35.27 80.37 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 111.611 -2.54 . . . . 0.0 111.308 -174.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.27 -31.83 66.12 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 123.984 0.802 . . . . 0.0 110.867 175.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.456 ' SG ' HD22 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -89.09 13.25 13.5 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 124.647 1.217 . . . . 0.0 112.471 178.708 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 64.52 67.12 0.58 Allowed 'General case' 0 C--N 1.359 1.015 0 CA-C-O 122.356 1.074 . . . . 0.0 110.028 -177.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 30.92 41.99 0.01 OUTLIER 'General case' 0 CA--C 1.563 1.479 0 CA-C-N 112.728 -2.033 . . . . 0.0 114.383 178.173 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -104.26 147.31 27.63 Favored 'General case' 0 C--O 1.209 -1.04 0 CA-C-N 114.625 -1.17 . . . . 0.0 108.445 -168.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.31 -51.61 6.46 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 125.251 1.594 . . . . 0.0 109.926 -174.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -67.91 -46.51 71.35 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 113.724 -1.58 . . . . 0.0 111.041 -178.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.456 HD22 ' SG ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -67.96 -34.27 76.23 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 125.083 1.489 . . . . 0.0 110.243 -177.39 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.31 -37.61 83.63 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 124.313 1.008 . . . . 0.0 111.831 176.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.17 13.06 0.76 Allowed 'General case' 0 CA--C 1.55 0.967 0 O-C-N 124.758 1.286 . . . . 0.0 111.921 173.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.34 -35.35 4.66 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 114.125 -1.398 . . . . 0.0 108.447 171.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -80.16 -18.51 49.53 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.378 178.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.06 -37.72 12.01 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 113.922 -1.49 . . . . 0.0 110.322 -178.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.9 mt . . . . . 0 C--N 1.349 0.583 0 O-C-N 124.991 1.432 . . . . 0.0 111.586 -168.427 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.211 -0.936 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.211 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.4 mm -55.74 -44.15 76.2 Favored 'Isoleucine or valine' 0 C--N 1.359 1.008 0 C-N-CA 119.231 -0.988 . . . . 0.0 110.74 -173.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.19 -23.97 47.34 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 115.157 -0.928 . . . . 0.0 112.975 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.23 -19.23 40.11 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 114.406 -1.27 . . . . 0.0 111.618 -178.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.41 ' CD1' ' CD1' ' A' ' 23' ' ' TYR . 13.8 mt -90.02 -28.81 18.83 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 113.288 -1.778 . . . . 0.0 108.534 178.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.05 -31.25 44.45 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 112.196 -2.274 . . . . 0.0 110.256 175.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.51 -22.48 57.1 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 113.542 -1.663 . . . . 0.0 111.674 -175.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.94 -22.83 28.4 Favored 'General case' 0 CA--C 1.554 1.115 0 O-C-N 124.994 1.434 . . . . 0.0 110.871 169.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.81 -1.95 6.37 Favored Glycine 0 CA--C 1.541 1.677 0 O-C-N 124.667 1.23 . . . . 0.0 113.165 176.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -96.28 163.08 21.56 Favored Pre-proline 0 C--N 1.348 0.526 0 CA-C-N 114.619 -0.791 . . . . 0.0 110.424 -173.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -83.51 143.82 11.11 Favored 'Trans proline' 0 C--N 1.365 1.424 0 C-N-CA 123.201 2.601 . . . . 0.0 112.895 172.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -54.53 -18.46 4.39 Favored 'General case' 0 CA--C 1.557 1.233 0 O-C-N 124.194 0.934 . . . . 0.0 112.821 -178.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.95 -43.6 82.72 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 114.095 -1.411 . . . . 0.0 111.946 -177.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.81 -22.68 42.76 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 124.494 1.121 . . . . 0.0 111.08 176.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.6 t -65.71 -49.16 79.32 Favored 'Isoleucine or valine' 0 C--N 1.354 0.789 0 O-C-N 125.54 1.775 . . . . 0.0 109.664 -173.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -51.94 -57.36 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 CA-C-N 112.427 -2.17 . . . . 0.0 109.995 179.227 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -80.24 -2.26 44.24 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 124.599 1.187 . . . . 0.0 112.771 -175.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.75 -20.04 17.13 Favored 'General case' 0 C--N 1.354 0.778 0 O-C-N 124.009 0.818 . . . . 0.0 112.251 176.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.41 ' CD1' ' CD1' ' A' ' 9' ' ' LEU . 0.6 OUTLIER -89.67 -43.85 10.44 Favored 'General case' 0 C--N 1.348 0.526 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 175.026 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -72.16 -37.37 69.39 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-N 112.223 -2.262 . . . . 0.0 111.33 -173.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.61 -25.38 62.15 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 124.349 1.031 . . . . 0.0 111.525 174.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -92.57 8.59 38.26 Favored 'General case' 0 C--N 1.351 0.638 0 O-C-N 124.731 1.269 . . . . 0.0 112.615 177.249 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 64.69 70.72 0.48 Allowed 'General case' 0 C--N 1.355 0.825 0 CA-C-O 121.885 0.85 . . . . 0.0 110.526 -177.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.6 mptt 33.32 36.81 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.335 0 CA-C-N 113.285 -1.78 . . . . 0.0 114.478 178.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -96.38 156.73 16.22 Favored 'General case' 0 C--O 1.212 -0.89 0 CA-C-N 114.009 -1.451 . . . . 0.0 107.811 -170.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.14 -59.54 1.87 Allowed 'General case' 0 C--N 1.35 0.609 0 O-C-N 125.823 1.952 . . . . 0.0 110.288 -173.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.08 -43.65 82.04 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 125.021 1.451 . . . . 0.0 111.025 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tp -64.31 -34.15 77.47 Favored 'General case' 0 C--N 1.347 0.48 0 CA-C-N 113.429 -1.714 . . . . 0.0 111.157 -179.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.66 -40.11 80.36 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 125.149 1.531 . . . . 0.0 112.074 176.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.88 9.54 1.48 Allowed 'General case' 0 CA--C 1.546 0.795 0 O-C-N 124.722 1.264 . . . . 0.0 111.585 173.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -113.09 -30.13 7.09 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 114.264 -1.335 . . . . 0.0 109.866 172.077 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -83.57 -14.97 50.91 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-O 122.497 1.141 . . . . 0.0 110.336 175.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.75 -35.72 10.89 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 113.907 -1.497 . . . . 0.0 110.406 -179.391 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.7 mt . . . . . 0 C--N 1.349 0.563 0 O-C-N 125.161 1.538 . . . . 0.0 112.075 -170.066 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.605 0 CA-C-O 118.931 -0.556 . . . . 0.0 110.002 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 13.2 mt -67.22 -9.55 10.24 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.029 0 C-N-CA 119.101 -1.04 . . . . 0.0 112.202 -173.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -105.83 -26.95 11.53 Favored 'General case' 0 C--N 1.354 0.791 0 O-C-N 123.689 0.618 . . . . 0.0 111.156 174.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.37 -25.11 42.25 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 124.712 1.257 . . . . 0.0 111.016 -177.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.465 HD13 ' CD1' ' A' ' 23' ' ' TYR . 20.8 mt -84.87 -32.48 23.19 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-N 112.482 -2.145 . . . . 0.0 108.305 178.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.23 -29.49 54.11 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 112.862 -1.972 . . . . 0.0 110.695 178.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.28 -20.43 57.36 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 113.453 -1.703 . . . . 0.0 111.525 -175.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.39 -22.89 55.49 Favored 'General case' 0 CA--C 1.555 1.147 0 O-C-N 125.015 1.447 . . . . 0.0 110.989 169.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.99 0.28 6.01 Favored Glycine 0 CA--C 1.545 1.927 0 O-C-N 124.843 1.339 . . . . 0.0 113.127 176.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -94.27 163.66 22.57 Favored Pre-proline 0 C--O 1.248 0.993 0 O-C-N 124.1 0.53 . . . . 0.0 110.847 -174.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -80.93 150.03 18.05 Favored 'Trans proline' 0 CA--C 1.545 1.075 0 C-N-CA 124.792 3.662 . . . . 0.0 113.734 169.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -54.74 -20.19 7.89 Favored 'General case' 0 C--N 1.358 0.957 0 C-N-CA 124.584 1.154 . . . . 0.0 113.42 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.93 -40.42 32.06 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 114.162 -1.381 . . . . 0.0 111.567 -172.039 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 pp -81.23 -23.07 38.3 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 124.77 1.294 . . . . 0.0 110.755 176.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.3 t -65.21 -52.21 55.55 Favored 'Isoleucine or valine' 0 C--N 1.35 0.63 0 O-C-N 125.486 1.741 . . . . 0.0 110.28 -176.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -51.87 -57.76 3.18 Favored 'Isoleucine or valine' 0 C--N 1.351 0.667 0 CA-C-N 112.183 -2.28 . . . . 0.0 110.695 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -72.87 -17.02 61.57 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 113.141 -1.845 . . . . 0.0 111.549 -176.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.71 -24.58 31.17 Favored 'General case' 0 C--N 1.351 0.643 0 O-C-N 124.571 1.169 . . . . 0.0 112.242 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.465 ' CD1' HD13 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -83.36 -48.64 10.18 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 118.801 -1.16 . . . . 0.0 108.856 178.912 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -65.04 -36.66 85.07 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 112.232 -2.258 . . . . 0.0 111.57 -178.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.36 -29.53 66.23 Favored 'General case' 0 C--N 1.357 0.919 0 O-C-N 123.893 0.745 . . . . 0.0 110.871 175.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.87 11.35 20.55 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 124.861 1.35 . . . . 0.0 112.127 176.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 59.26 73.82 0.47 Allowed 'General case' 0 C--N 1.357 0.91 0 CA-C-O 122.409 1.1 . . . . 0.0 110.273 -176.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 27.12 50.44 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.197 0 CA-C-N 111.562 -2.563 . . . . 0.0 114.86 176.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.25 149.09 38.32 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-N 114.32 -1.309 . . . . 0.0 108.977 -169.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.01 -51.63 5.5 Favored 'General case' 0 C--O 1.221 -0.407 0 O-C-N 125.241 1.588 . . . . 0.0 111.17 -172.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -67.74 -46.52 71.89 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 113.1 -1.864 . . . . 0.0 110.432 178.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 tp -65.89 -33.82 76.71 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 125.32 1.638 . . . . 0.0 111.047 -176.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.4 -36.59 71.43 Favored 'General case' 0 C--N 1.355 0.833 0 O-C-N 125.174 1.546 . . . . 0.0 112.129 177.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.14 11.99 1.31 Allowed 'General case' 0 CA--C 1.551 0.981 0 O-C-N 124.635 1.21 . . . . 0.0 111.43 172.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -118.32 -24.08 7.03 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 114.024 -1.444 . . . . 0.0 110.036 173.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -90.1 -19.73 23.99 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 124.192 0.933 . . . . 0.0 110.78 174.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.45 -37.48 15.79 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.239 -1.346 . . . . 0.0 109.949 179.186 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mt . . . . . 0 C--N 1.352 0.702 0 O-C-N 125.174 1.546 . . . . 0.0 111.396 -170.744 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.662 0 CA-C-O 119.491 -0.29 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.8 mt -66.85 -10.56 11.97 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.044 0 C-N-CA 118.859 -1.136 . . . . 0.0 111.92 -176.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -105.14 -27.8 11.37 Favored 'General case' 0 C--N 1.36 1.027 0 O-C-N 124.381 1.05 . . . . 0.0 111.552 174.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.24 -24.11 37.58 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 124.8 1.312 . . . . 0.0 111.425 -177.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.478 HD13 ' CD1' ' A' ' 23' ' ' TYR . 24.2 mt -84.7 -30.84 24.45 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 112.518 -2.128 . . . . 0.0 109.203 178.121 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.03 -30.83 44.39 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 111.992 -2.367 . . . . 0.0 110.658 178.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.35 -21.31 59.75 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 113.089 -1.869 . . . . 0.0 111.657 -177.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.419 ' CD1' ' HA ' ' A' ' 9' ' ' LEU . 0.9 OUTLIER -57.73 -21.02 38.65 Favored 'General case' 0 CA--C 1.554 1.11 0 CA-C-N 113.87 -1.514 . . . . 0.0 111.258 169.364 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.47 13.76 5.12 Favored Glycine 0 C--N 1.359 1.838 0 O-C-N 124.801 1.313 . . . . 0.0 112.836 176.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -107.64 159.55 29.92 Favored Pre-proline 0 C--O 1.259 1.597 0 CA-C-N 114.325 -0.938 . . . . 0.0 108.775 -172.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_endo -83.15 146.75 12.74 Favored 'Trans proline' 0 CA--C 1.543 0.928 1 C-N-CA 125.478 4.119 . . . . 0.0 113.199 172.201 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -51.7 -19.17 1.47 Allowed 'General case' 0 C--N 1.36 1.03 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.9 t -74.89 -42.4 57.9 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 124.281 0.988 . . . . 0.0 112.742 -175.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 pp -83.25 -20.24 34.89 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 114.826 -1.079 . . . . 0.0 110.966 177.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 37.0 t -67.46 -51.22 54.31 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 CA-C-N 112.968 -1.924 . . . . 0.0 109.87 -176.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -54.66 -53.85 28.13 Favored 'Isoleucine or valine' 0 C--N 1.35 0.608 0 CA-C-N 112.26 -2.245 . . . . 0.0 110.382 -178.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -72.29 -20.16 61.56 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 112.393 -2.185 . . . . 0.0 110.866 -174.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.72 -50.51 24.24 Favored 'General case' 0 C--O 1.215 -0.717 0 O-C-N 124.395 1.059 . . . . 0.0 110.79 177.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.478 ' CD1' HD13 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -60.18 -52.83 63.65 Favored 'General case' 0 C--N 1.356 0.873 0 O-C-N 124.516 1.135 . . . . 0.0 110.587 -179.163 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -60.22 -39.4 86.5 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 112.299 -2.228 . . . . 0.0 111.556 -177.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.47 -29.66 63.85 Favored 'General case' 0 C--N 1.358 0.966 0 O-C-N 124.286 0.992 . . . . 0.0 111.699 177.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.91 12.44 21.66 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 125.0 1.438 . . . . 0.0 111.794 178.453 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 61.02 74.79 0.44 Allowed 'General case' 0 C--N 1.357 0.929 0 O-C-N 123.956 0.785 . . . . 0.0 110.84 -175.161 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 29.82 42.73 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.075 0 CA-C-N 112.889 -1.96 . . . . 0.0 114.85 175.476 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -109.91 146.0 35.9 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 114.389 -1.278 . . . . 0.0 108.833 -169.033 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.39 -50.58 7.19 Favored 'General case' 0 C--O 1.22 -0.464 0 O-C-N 125.331 1.644 . . . . 0.0 110.976 -176.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.64 -47.46 69.52 Favored 'General case' 0 C--N 1.348 0.515 0 CA-C-N 112.641 -2.072 . . . . 0.0 110.919 -178.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 tp -68.26 -32.98 73.54 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 112.913 -1.949 . . . . 0.0 111.773 -177.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.34 -36.24 71.48 Favored 'General case' 0 C--N 1.356 0.88 0 O-C-N 125.025 1.453 . . . . 0.0 111.958 177.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.47 9.24 2.28 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 124.671 1.232 . . . . 0.0 111.803 173.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -115.89 -27.56 6.96 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 113.935 -1.484 . . . . 0.0 109.824 173.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -85.07 -19.9 31.21 Favored 'General case' 0 C--O 1.219 -0.536 0 C-N-CA 119.378 -0.929 . . . . 0.0 110.405 175.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.23 -41.02 12.46 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 113.96 -1.473 . . . . 0.0 110.185 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.8 mt . . . . . 0 C--N 1.35 0.628 0 O-C-N 125.015 1.447 . . . . 0.0 112.444 -170.389 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.415 ' CB ' ' CZ ' ' A' ' 23' ' ' TYR . . . . . . . . 0 N--CA 1.444 -0.756 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.1 mt -63.01 -13.9 13.01 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.955 0 C-N-CA 118.744 -1.183 . . . . 0.0 112.475 -175.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -103.15 -29.85 11.07 Favored 'General case' 0 C--N 1.357 0.9 0 O-C-N 124.091 0.869 . . . . 0.0 111.312 175.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.32 -22.16 44.92 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 124.617 1.198 . . . . 0.0 111.569 -176.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.472 HD13 ' CD1' ' A' ' 23' ' ' TYR . 22.4 mt -86.97 -32.89 19.84 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 112.69 -2.05 . . . . 0.0 108.52 177.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.26 -30.06 60.35 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 112.859 -1.973 . . . . 0.0 110.274 177.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.07 -21.46 54.39 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 113.316 -1.766 . . . . 0.0 111.606 -175.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.34 -22.66 43.75 Favored 'General case' 0 CA--C 1.553 1.087 0 O-C-N 124.909 1.381 . . . . 0.0 110.994 169.613 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.0 -3.78 6.01 Favored Glycine 0 CA--C 1.542 1.726 0 O-C-N 124.671 1.232 . . . . 0.0 112.906 176.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -92.31 162.77 29.12 Favored Pre-proline 0 C--N 1.35 0.629 0 O-C-N 124.262 0.625 . . . . 0.0 110.307 -174.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -83.03 148.64 13.48 Favored 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 123.84 3.026 . . . . 0.0 112.411 170.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -54.13 -20.26 6.36 Favored 'General case' 0 CA--C 1.552 1.046 0 O-C-N 124.423 1.077 . . . . 0.0 113.015 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.5 t -71.21 -44.88 64.51 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.038 -0.983 . . . . 0.0 112.358 -176.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 pp -80.67 -21.64 41.17 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 119.058 -1.057 . . . . 0.0 111.13 177.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.404 HG11 ' CD1' ' A' ' 9' ' ' LEU . 24.7 t -65.94 -51.7 57.78 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 O-C-N 125.51 1.756 . . . . 0.0 110.297 -177.162 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -49.87 -58.26 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.601 0 O-C-N 126.125 2.141 . . . . 0.0 110.676 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -75.12 -18.01 60.31 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 113.211 -1.813 . . . . 0.0 111.24 -174.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.72 -21.4 34.8 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 123.918 0.761 . . . . 0.0 112.599 178.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.472 ' CD1' HD13 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -84.45 -47.32 10.76 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 124.241 0.963 . . . . 0.0 108.424 176.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -67.23 -38.18 84.8 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-N 112.084 -2.325 . . . . 0.0 111.528 -176.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.14 -26.34 63.9 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 124.487 1.117 . . . . 0.0 111.132 175.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.432 ' HG ' ' HB2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -97.31 10.03 40.67 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 124.808 1.317 . . . . 0.0 112.397 177.139 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 62.27 74.53 0.43 Allowed 'General case' 0 C--N 1.358 0.947 0 O-C-N 123.987 0.805 . . . . 0.0 111.259 -177.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 25.85 41.59 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 126.288 1.835 . . . . 0.0 114.726 179.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.414 ' O ' ' CE1' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -103.03 151.73 22.17 Favored 'General case' 0 C--O 1.216 -0.67 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -170.026 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.55 -56.37 3.38 Favored 'General case' 0 C--O 1.221 -0.417 0 O-C-N 124.999 1.437 . . . . 0.0 110.577 -174.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -64.92 -47.35 78.05 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 113.315 -1.766 . . . . 0.0 111.25 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 tp -64.08 -35.88 82.18 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-N 113.289 -1.778 . . . . 0.0 111.139 -177.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.19 -37.05 80.5 Favored 'General case' 0 C--N 1.353 0.734 0 O-C-N 125.172 1.545 . . . . 0.0 112.714 178.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.52 13.05 0.84 Allowed 'General case' 0 CA--C 1.549 0.905 0 O-C-N 124.769 1.293 . . . . 0.0 111.571 173.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -118.24 -29.89 5.42 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 114.017 -1.447 . . . . 0.0 109.6 172.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.432 ' HB2' ' HG ' ' A' ' 26' ' ' CYS . 11.4 t80 -80.99 -21.91 39.88 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 119.549 -0.86 . . . . 0.0 110.563 175.046 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.67 -37.81 13.5 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.139 -1.391 . . . . 0.0 110.92 -177.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.8 mt . . . . . 0 C--N 1.352 0.705 0 O-C-N 125.067 1.479 . . . . 0.0 111.393 -170.611 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.79 0 CA-C-O 118.619 -0.705 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 44.1 mt -64.68 -12.39 12.68 Favored 'Isoleucine or valine' 0 C--N 1.358 0.974 0 C-N-CA 119.251 -0.98 . . . . 0.0 112.073 -173.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -106.7 -25.6 11.68 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-N 114.665 -1.152 . . . . 0.0 111.059 176.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.43 -21.87 44.97 Favored 'General case' 0 CA--C 1.547 0.827 0 O-C-N 124.458 1.099 . . . . 0.0 111.775 178.459 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.422 HD13 ' CD1' ' A' ' 23' ' ' TYR . 22.0 mt -90.14 -30.23 17.77 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 112.964 -1.925 . . . . 0.0 109.081 -178.388 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.75 -31.35 40.99 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 111.549 -2.569 . . . . 0.0 109.924 176.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.0 -20.24 58.01 Favored 'General case' 0 C--N 1.356 0.889 0 CA-C-N 113.548 -1.66 . . . . 0.0 111.829 -176.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.401 ' CD1' ' HA ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -56.42 -21.56 26.01 Favored 'General case' 0 CA--C 1.555 1.16 0 O-C-N 125.031 1.457 . . . . 0.0 110.962 169.166 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 127.46 -1.1 7.0 Favored Glycine 0 CA--C 1.543 1.837 0 O-C-N 124.603 1.189 . . . . 0.0 112.822 174.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.43 ' HB3' ' CD1' ' A' ' 18' ' ' LEU . 82.3 m-85 -100.66 163.11 18.74 Favored Pre-proline 0 C--O 1.25 1.098 0 CA-C-N 114.47 -0.865 . . . . 0.0 110.5 -170.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -80.77 157.24 21.21 Favored 'Trans proline' 0 C--N 1.357 0.99 0 C-N-CA 124.516 3.478 . . . . 0.0 113.225 175.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.24 -16.16 51.73 Favored 'General case' 0 CA--C 1.552 1.046 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 -176.239 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.34 -40.53 58.22 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 114.011 -1.45 . . . . 0.0 111.86 -170.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.43 ' CD1' ' HB3' ' A' ' 14' ' ' PHE . 1.9 pp -80.04 -25.78 40.02 Favored 'General case' 0 C--N 1.357 0.901 0 O-C-N 124.73 1.268 . . . . 0.0 110.7 175.191 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 41.1 t -62.19 -54.44 34.35 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.619 0 O-C-N 125.259 1.599 . . . . 0.0 110.54 -175.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -51.65 -53.75 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 CA-C-N 112.335 -2.211 . . . . 0.0 111.15 -178.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -79.32 -13.06 59.89 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 112.899 -1.955 . . . . 0.0 112.175 -174.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.96 -15.51 27.89 Favored 'General case' 0 C--N 1.351 0.654 0 O-C-N 124.218 0.949 . . . . 0.0 111.574 177.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.422 ' CD1' HD13 ' A' ' 9' ' ' LEU . 1.1 t80 -90.55 -61.98 1.56 Allowed 'General case' 0 C--N 1.349 0.564 0 O-C-N 124.626 1.204 . . . . 0.0 107.756 177.451 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -56.2 -33.56 65.43 Favored 'General case' 0 CA--C 1.549 0.939 0 O-C-N 126.109 2.131 . . . . 0.0 113.269 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.75 -32.14 59.86 Favored 'General case' 0 C--N 1.359 0.984 0 C-N-CA 119.076 -1.049 . . . . 0.0 111.398 177.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.85 17.79 9.99 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 124.782 1.301 . . . . 0.0 111.82 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 60.93 69.36 0.68 Allowed 'General case' 0 C--N 1.36 1.048 0 CA-C-O 122.145 0.974 . . . . 0.0 110.627 -176.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 26.44 43.06 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.135 0 CA-C-N 112.234 -2.257 . . . . 0.0 114.571 176.369 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -105.09 145.21 30.83 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 -167.083 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.16 -44.0 14.41 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 124.84 1.337 . . . . 0.0 110.454 -173.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -70.41 -48.5 55.81 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 113.04 -1.891 . . . . 0.0 110.885 -179.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.2 tp -69.92 -30.46 67.87 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-N 113.389 -1.732 . . . . 0.0 112.051 -175.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.97 -37.73 64.4 Favored 'General case' 0 C--N 1.356 0.876 0 O-C-N 125.215 1.572 . . . . 0.0 111.388 176.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.32 9.69 1.58 Allowed 'General case' 0 CA--C 1.545 0.771 0 O-C-N 124.573 1.17 . . . . 0.0 111.925 173.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -111.86 -35.75 5.62 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 114.025 -1.443 . . . . 0.0 109.031 169.356 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -82.11 -6.55 59.27 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-O 121.806 0.812 . . . . 0.0 112.36 178.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 mt -99.89 -40.1 7.85 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 113.982 -1.463 . . . . 0.0 109.577 178.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.5 mt . . . . . 0 C--N 1.352 0.694 0 CA-C-N 113.284 -1.78 . . . . 0.0 111.955 -168.694 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.443 ' CB ' ' CZ ' ' A' ' 23' ' ' TYR . . . . . . . . 0 N--CA 1.447 -0.623 0 CA-C-O 119.235 -0.412 . . . . 0.0 110.216 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 14.2 mt -60.32 -15.28 9.94 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 C-N-CA 118.696 -1.201 . . . . 0.0 112.689 -175.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -101.33 -28.98 12.31 Favored 'General case' 0 C--N 1.355 0.844 0 O-C-N 124.071 0.857 . . . . 0.0 111.434 175.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.42 -21.44 55.96 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 124.574 1.171 . . . . 0.0 111.544 -178.203 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.472 HD13 ' CD1' ' A' ' 23' ' ' TYR . 18.0 mt -92.29 -28.12 17.17 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-N 112.958 -1.928 . . . . 0.0 109.174 -178.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.16 -28.18 38.85 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 111.88 -2.418 . . . . 0.0 110.201 175.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.21 -19.04 51.76 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 113.354 -1.748 . . . . 0.0 111.328 -176.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.414 ' CD1' ' HA ' ' A' ' 9' ' ' LEU . 1.0 OUTLIER -56.47 -21.49 26.04 Favored 'General case' 0 C--N 1.356 0.877 0 O-C-N 124.998 1.436 . . . . 0.0 111.432 168.198 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 126.73 -1.51 7.42 Favored Glycine 0 C--N 1.354 1.574 0 O-C-N 125.065 1.478 . . . . 0.0 112.033 177.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -101.02 164.64 15.68 Favored Pre-proline 0 C--O 1.252 1.22 0 CA-C-N 113.862 -1.169 . . . . 0.0 110.074 -167.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -87.93 149.35 7.05 Favored 'Trans proline' 0 CA--C 1.537 0.661 0 C-N-CA 124.87 3.714 . . . . 0.0 112.601 175.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -54.87 -16.23 2.52 Favored 'General case' 0 CA--C 1.556 1.176 0 CA-C-N 114.529 -1.214 . . . . 0.0 113.648 -179.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.64 -46.98 51.32 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 114.965 -1.016 . . . . 0.0 112.117 -175.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.477 ' CD1' ' CD2' ' A' ' 37' ' ' LEU . 2.8 pp -80.31 -22.55 41.41 Favored 'General case' 0 C--N 1.358 0.959 0 O-C-N 124.594 1.184 . . . . 0.0 111.155 177.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 23.6 t -65.34 -51.01 69.8 Favored 'Isoleucine or valine' 0 C--N 1.35 0.611 0 O-C-N 125.634 1.834 . . . . 0.0 110.23 -177.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -51.83 -55.63 8.66 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 CA-C-N 112.731 -2.031 . . . . 0.0 110.242 -178.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -76.31 -16.52 59.75 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 112.842 -1.981 . . . . 0.0 111.6 -173.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.61 -25.97 30.37 Favored 'General case' 0 C--O 1.217 -0.63 0 O-C-N 124.438 1.086 . . . . 0.0 112.295 177.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.472 ' CD1' HD13 ' A' ' 9' ' ' LEU . 0.8 OUTLIER -81.2 -48.49 12.01 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 124.286 0.991 . . . . 0.0 108.45 178.004 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -64.3 -38.29 90.52 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 111.391 -2.64 . . . . 0.0 111.164 -176.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.5 -29.57 64.95 Favored 'General case' 0 C--N 1.358 0.963 0 O-C-N 124.141 0.901 . . . . 0.0 111.427 176.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.453 ' SG ' ' HB2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -92.51 13.22 20.36 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 124.78 1.3 . . . . 0.0 112.229 178.015 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 60.94 72.01 0.54 Allowed 'General case' 0 C--N 1.357 0.913 0 CA-C-O 122.035 0.921 . . . . 0.0 110.394 -177.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 32.79 41.44 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 112.678 -2.056 . . . . 0.0 115.312 174.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -108.71 147.34 32.1 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-N 114.259 -1.337 . . . . 0.0 109.058 -168.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.93 -50.75 6.23 Favored 'General case' 0 C--O 1.219 -0.521 0 O-C-N 125.295 1.622 . . . . 0.0 110.923 -172.327 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -70.64 -45.05 65.9 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 112.578 -2.101 . . . . 0.0 110.666 178.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 tp -64.26 -36.99 85.9 Favored 'General case' 0 C--N 1.356 0.851 0 O-C-N 125.325 1.64 . . . . 0.0 110.891 -177.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.86 -40.29 75.84 Favored 'General case' 0 C--N 1.357 0.913 0 O-C-N 125.461 1.726 . . . . 0.0 112.426 179.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.34 9.22 1.37 Allowed 'General case' 0 CA--C 1.55 0.955 0 O-C-N 124.522 1.139 . . . . 0.0 112.043 174.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -116.45 -28.14 6.56 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 113.837 -1.529 . . . . 0.0 109.05 172.216 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.453 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 23.6 t80 -85.91 -11.75 52.4 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-O 122.533 1.158 . . . . 0.0 110.695 177.252 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.477 ' CD2' ' CD1' ' A' ' 18' ' ' LEU . 2.3 mt -96.54 -44.79 7.01 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 113.5 -1.682 . . . . 0.0 108.64 -179.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.2 mt . . . . . 0 C--N 1.352 0.678 0 CA-C-N 113.526 -1.67 . . . . 0.0 113.574 -170.749 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.429 ' CB ' ' CZ ' ' A' ' 23' ' ' TYR . . . . . . . . 0 C--O 1.212 -0.883 0 CA-C-O 119.568 -0.253 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.6 mt -65.51 -11.25 11.8 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 C-N-CA 118.711 -1.196 . . . . 0.0 111.846 -177.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.63 -25.72 12.14 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 124.153 0.908 . . . . 0.0 111.024 176.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.29 -24.04 30.06 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 124.58 1.175 . . . . 0.0 111.236 -177.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.456 HD13 ' CD1' ' A' ' 23' ' ' TYR . 16.7 mt -86.97 -33.22 19.71 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 112.604 -2.089 . . . . 0.0 108.274 177.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -35.11 67.03 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 112.921 -1.945 . . . . 0.0 110.117 175.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.79 -20.77 56.05 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-N 114.024 -1.443 . . . . 0.0 111.652 -173.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.0 mt -56.86 -23.13 42.05 Favored 'General case' 0 CA--C 1.555 1.137 0 O-C-N 125.235 1.584 . . . . 0.0 110.924 169.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.55 -5.98 5.89 Favored Glycine 0 CA--C 1.539 1.57 0 O-C-N 124.734 1.271 . . . . 0.0 112.794 176.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -91.93 162.6 30.37 Favored Pre-proline 0 C--O 1.237 0.44 0 O-C-N 124.514 0.773 . . . . 0.0 110.306 -174.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -83.51 147.62 12.53 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 124.275 3.317 . . . . 0.0 112.71 171.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -54.56 -19.51 6.07 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 124.3 1.0 . . . . 0.0 113.177 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.9 t -70.15 -44.59 68.52 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.984 -176.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 pp -81.67 -22.24 37.63 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 124.375 1.047 . . . . 0.0 111.608 177.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.5 t -66.45 -52.83 42.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 O-C-N 125.521 1.763 . . . . 0.0 109.642 -175.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -51.63 -53.12 17.93 Favored 'Isoleucine or valine' 0 C--N 1.348 0.526 0 O-C-N 125.775 1.922 . . . . 0.0 111.704 -178.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -77.36 -23.15 50.86 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 112.434 -2.166 . . . . 0.0 110.429 -174.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.17 -28.31 57.29 Favored 'General case' 0 C--N 1.35 0.623 0 O-C-N 124.834 1.334 . . . . 0.0 111.451 177.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.456 ' CD1' HD13 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -78.88 -56.08 4.66 Favored 'General case' 0 C--N 1.346 0.421 0 O-C-N 124.6 1.188 . . . . 0.0 108.971 -179.26 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -60.6 -34.42 74.19 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 112.229 -2.26 . . . . 0.0 111.555 -178.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.73 -36.62 78.63 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 124.057 0.848 . . . . 0.0 110.905 174.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.585 ' SG ' HD22 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -84.26 4.05 32.64 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.781 1.301 . . . . 0.0 112.222 176.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 58.11 63.85 1.65 Allowed 'General case' 0 C--N 1.359 0.981 0 O-C-N 124.332 1.02 . . . . 0.0 111.094 -174.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.453 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 27.14 45.63 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 112.068 -2.333 . . . . 0.0 114.614 173.523 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -87.18 -17.48 32.57 Favored 'General case' 0 C--N 1.347 0.473 0 CA-C-N 112.474 -2.148 . . . . 0.0 110.919 -165.199 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . 0.273 0.9 OUTLIER 85.66 -70.3 0.03 OUTLIER 'General case' 0 C--N 1.349 0.549 0 O-C-N 125.668 1.855 . . . . 0.0 111.1 173.205 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -64.46 -45.0 89.31 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 112.83 -1.986 . . . . 0.0 110.843 176.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.585 HD22 ' SG ' ' A' ' 26' ' ' CYS . 0.2 OUTLIER -67.65 -31.13 70.91 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 124.695 1.247 . . . . 0.0 110.728 -179.269 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.97 -39.19 83.39 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-N 114.034 -1.439 . . . . 0.0 111.924 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.25 8.77 1.96 Allowed 'General case' 0 CA--C 1.548 0.903 0 O-C-N 124.842 1.338 . . . . 0.0 112.321 173.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -115.82 -24.87 7.99 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 114.472 -1.24 . . . . 0.0 109.589 173.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -87.92 -16.61 33.38 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 119.653 -0.819 . . . . 0.0 110.891 176.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -93.31 -38.49 11.47 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 113.112 -1.858 . . . . 0.0 109.913 178.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.8 mt . . . . . 0 C--N 1.35 0.589 0 O-C-N 124.776 1.297 . . . . 0.0 111.504 -170.08 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.205 -1.282 0 CA-C-O 118.916 -0.564 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.6 mm -56.77 -44.81 82.46 Favored 'Isoleucine or valine' 0 C--N 1.363 1.166 0 C-N-CA 119.308 -0.957 . . . . 0.0 110.696 -171.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -76.44 -25.81 54.79 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 114.129 -1.396 . . . . 0.0 112.684 178.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -79.32 -18.84 51.76 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 124.655 1.222 . . . . 0.0 111.622 -178.023 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.42 ' CD1' ' CD1' ' A' ' 23' ' ' TYR . 10.9 mt -91.67 -28.92 17.16 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 125.43 1.706 . . . . 0.0 108.908 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.08 -30.89 44.16 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 111.422 -2.626 . . . . 0.0 110.632 175.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.56 -23.08 56.54 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 113.317 -1.765 . . . . 0.0 111.704 -176.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.407 ' CD1' ' HA ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -55.59 -22.37 21.85 Favored 'General case' 0 CA--C 1.553 1.092 0 O-C-N 125.213 1.571 . . . . 0.0 111.012 169.475 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 125.28 1.95 7.75 Favored Glycine 0 C--N 1.36 1.868 0 O-C-N 124.705 1.253 . . . . 0.0 113.021 175.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -99.83 163.04 19.19 Favored Pre-proline 0 C--O 1.216 -0.697 0 CA-C-N 114.028 -1.086 . . . . 0.0 109.738 -173.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -82.4 143.71 12.51 Favored 'Trans proline' 0 C--N 1.372 1.787 0 C-N-CA 122.748 2.298 . . . . 0.0 112.549 173.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -53.66 -18.06 2.71 Favored 'General case' 0 C--N 1.366 1.319 0 O-C-N 124.144 0.903 . . . . 0.0 113.181 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.65 -42.06 82.82 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 114.248 -1.342 . . . . 0.0 112.322 -177.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.422 HD13 ' CD2' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -78.48 -22.56 47.3 Favored 'General case' 0 C--N 1.356 0.884 0 C-N-CA 118.657 -1.217 . . . . 0.0 110.539 176.341 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.412 ' N ' HD12 ' A' ' 18' ' ' LEU . 21.7 t -66.87 -50.98 60.13 Favored 'Isoleucine or valine' 0 C--N 1.354 0.763 0 O-C-N 125.848 1.968 . . . . 0.0 108.994 -169.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -50.55 -56.08 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 CA-C-N 111.58 -2.554 . . . . 0.0 110.165 179.579 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -84.01 -1.42 54.7 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 114.16 -1.382 . . . . 0.0 112.815 -174.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.52 -15.2 17.94 Favored 'General case' 0 C--N 1.362 1.111 0 O-C-N 124.526 1.141 . . . . 0.0 112.199 175.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.42 ' CD1' ' CD1' ' A' ' 9' ' ' LEU . 1.0 OUTLIER -94.04 -49.39 5.8 Favored 'General case' 0 C--O 1.215 -0.753 0 O-C-N 124.885 1.365 . . . . 0.0 108.306 175.899 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -67.22 -37.02 82.89 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 111.664 -2.516 . . . . 0.0 111.076 -175.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.12 -29.17 63.81 Favored 'General case' 0 C--N 1.357 0.907 0 O-C-N 124.372 1.045 . . . . 0.0 111.489 175.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.443 ' HG ' ' HB2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -90.78 11.6 21.88 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 124.86 1.35 . . . . 0.0 112.244 178.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 62.23 75.1 0.42 Allowed 'General case' 0 C--N 1.358 0.94 0 O-C-N 124.242 0.964 . . . . 0.0 110.453 -176.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp 23.78 51.81 0.02 OUTLIER 'General case' 0 CA--C 1.56 1.363 0 CA-C-N 112.836 -1.983 . . . . 0.0 115.094 178.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -113.29 139.75 48.57 Favored 'General case' 0 C--O 1.201 -1.459 0 CA-C-N 114.099 -1.41 . . . . 0.0 108.489 -169.111 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -79.04 -51.1 10.04 Favored 'General case' 0 C--N 1.359 0.979 0 O-C-N 125.591 1.807 . . . . 0.0 111.267 -178.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.13 -46.71 73.3 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 113.429 -1.714 . . . . 0.0 110.555 -176.01 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.3 tp -69.6 -30.98 68.86 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 112.779 -2.01 . . . . 0.0 112.189 -176.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.21 -39.1 71.95 Favored 'General case' 0 C--O 1.21 -0.989 0 O-C-N 125.199 1.562 . . . . 0.0 112.104 176.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.43 8.05 1.98 Allowed 'General case' 0 CA--C 1.546 0.816 0 O-C-N 124.887 1.367 . . . . 0.0 111.824 174.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -116.08 -23.14 8.62 Favored 'General case' 0 C--O 1.209 -1.03 0 CA-C-N 114.234 -1.348 . . . . 0.0 110.394 173.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.443 ' HB2' ' HG ' ' A' ' 26' ' ' CYS . 23.3 t80 -88.67 -16.36 32.55 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 119.395 -0.922 . . . . 0.0 111.332 175.098 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.422 ' CD2' HD13 ' A' ' 18' ' ' LEU . 0.6 OUTLIER -95.33 -36.63 11.32 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 112.833 -1.985 . . . . 0.0 110.585 -179.63 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.3 mt . . . . . 0 C--N 1.352 0.689 0 O-C-N 125.028 1.455 . . . . 0.0 111.586 -172.573 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.839 0 CA-C-O 119.314 -0.374 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.2 mm -64.08 -12.67 12.26 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.195 0 C-N-CA 118.429 -1.308 . . . . 0.0 111.773 -174.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -106.03 -28.88 10.27 Favored 'General case' 0 C--N 1.356 0.88 0 O-C-N 124.362 1.039 . . . . 0.0 111.568 176.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -79.95 -22.03 43.11 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 124.754 1.284 . . . . 0.0 111.165 -178.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.458 HD13 ' CD1' ' A' ' 23' ' ' TYR . 25.9 mt -88.05 -32.42 18.77 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-N 113.02 -1.9 . . . . 0.0 108.034 179.106 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.93 -31.83 59.3 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 112.565 -2.107 . . . . 0.0 110.48 177.412 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.37 -20.89 56.73 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 113.298 -1.774 . . . . 0.0 111.717 -175.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.25 -22.85 44.24 Favored 'General case' 0 CA--C 1.554 1.124 0 O-C-N 124.89 1.369 . . . . 0.0 110.968 169.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.7 -3.29 5.72 Favored Glycine 0 CA--C 1.543 1.791 0 O-C-N 124.776 1.297 . . . . 0.0 112.877 176.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -93.45 163.44 24.65 Favored Pre-proline 0 C--O 1.254 1.322 0 O-C-N 124.186 0.58 . . . . 0.0 111.07 -174.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -83.56 149.04 12.82 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 124.619 3.546 . . . . 0.0 112.394 170.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -55.7 -17.53 6.08 Favored 'General case' 0 CA--C 1.552 1.045 0 O-C-N 124.507 1.129 . . . . 0.0 113.062 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.49 -45.18 63.18 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 114.617 -1.174 . . . . 0.0 112.122 -175.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 pp -82.25 -19.79 38.89 Favored 'General case' 0 C--N 1.356 0.89 0 O-C-N 124.545 1.153 . . . . 0.0 111.126 178.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.5 t -68.69 -48.4 71.68 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 O-C-N 125.382 1.676 . . . . 0.0 110.015 -177.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -52.03 -53.96 15.86 Favored 'Isoleucine or valine' 0 C--N 1.352 0.717 0 O-C-N 125.682 1.864 . . . . 0.0 111.318 -178.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -78.61 -20.06 51.28 Favored 'General case' 0 C--N 1.347 0.479 0 CA-C-N 112.435 -2.166 . . . . 0.0 110.44 -175.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.69 -24.9 44.76 Favored 'General case' 0 C--N 1.351 0.645 0 O-C-N 124.021 0.826 . . . . 0.0 112.171 177.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.458 ' CD1' HD13 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -83.59 -50.31 8.36 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 124.758 1.286 . . . . 0.0 108.333 178.783 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -66.4 -34.05 77.09 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 112.003 -2.362 . . . . 0.0 112.159 -175.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.72 -28.88 62.93 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 124.272 0.982 . . . . 0.0 111.128 174.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -91.41 5.11 50.65 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 124.785 1.303 . . . . 0.0 112.79 177.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 62.91 72.8 0.48 Allowed 'General case' 0 C--N 1.358 0.953 0 O-C-N 124.239 0.962 . . . . 0.0 110.102 -174.12 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.425 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.2 OUTLIER 31.58 39.08 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.268 0 CA-C-N 112.8 -2.0 . . . . 0.0 114.604 176.245 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -98.84 143.95 28.59 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-N 114.643 -1.162 . . . . 0.0 108.27 -169.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -76.55 -63.65 1.29 Allowed 'General case' 0 C--O 1.22 -0.466 0 O-C-N 124.609 1.193 . . . . 0.0 111.166 -178.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -62.95 -45.05 94.27 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-N 113.636 -1.62 . . . . 0.0 111.322 -175.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.8 tp -64.99 -33.05 75.13 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-N 113.372 -1.74 . . . . 0.0 111.695 -178.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.16 -36.22 71.94 Favored 'General case' 0 C--N 1.354 0.794 0 O-C-N 125.128 1.517 . . . . 0.0 111.845 176.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.25 13.32 0.94 Allowed 'General case' 0 CA--C 1.548 0.872 0 O-C-N 124.644 1.215 . . . . 0.0 111.618 173.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.86 -30.09 5.49 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-N 114.043 -1.435 . . . . 0.0 109.447 172.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -81.93 -22.71 36.6 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 121.921 0.867 . . . . 0.0 110.95 176.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.02 -39.47 14.63 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 113.445 -1.707 . . . . 0.0 110.516 -177.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 mt . . . . . 0 C--N 1.35 0.628 0 O-C-N 125.436 1.71 . . . . 0.0 111.313 -170.712 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 119.313 -0.375 . . . . 0.0 110.712 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.6 mt -63.95 -12.74 12.2 Favored 'Isoleucine or valine' 0 C--N 1.359 0.993 0 C-N-CA 119.13 -1.028 . . . . 0.0 111.959 -175.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -102.61 -26.77 13.09 Favored 'General case' 0 C--N 1.356 0.888 0 O-C-N 124.057 0.848 . . . . 0.0 111.478 175.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.14 -24.88 40.13 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 114.674 -1.148 . . . . 0.0 111.413 -177.037 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.464 ' CD1' ' CD1' ' A' ' 23' ' ' TYR . 24.5 mt -86.9 -29.12 22.37 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 112.362 -2.199 . . . . 0.0 109.778 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.56 -31.17 36.94 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 111.657 -2.519 . . . . 0.0 110.476 177.162 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.77 -20.69 59.7 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 113.425 -1.716 . . . . 0.0 111.613 -177.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.415 ' CD1' ' HA ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -58.17 -20.99 45.25 Favored 'General case' 0 CA--C 1.556 1.205 0 O-C-N 125.143 1.527 . . . . 0.0 110.923 169.246 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 124.9 3.92 7.44 Favored Glycine 0 C--N 1.358 1.794 0 O-C-N 124.598 1.186 . . . . 0.0 113.121 174.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -101.05 162.33 20.92 Favored Pre-proline 0 C--O 1.256 1.412 0 CA-C-N 114.558 -0.821 . . . . 0.0 110.542 -172.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -80.75 140.91 13.26 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 124.666 3.577 . . . . 0.0 112.392 172.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -50.45 -21.34 1.43 Allowed 'General case' 0 CA--C 1.552 1.041 0 O-C-N 124.51 1.131 . . . . 0.0 113.104 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.77 -43.53 72.0 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 114.714 -1.13 . . . . 0.0 111.87 -174.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.425 ' CD1' ' CD2' ' A' ' 37' ' ' LEU . 1.2 pp -79.4 -22.33 44.46 Favored 'General case' 0 C--N 1.36 1.06 0 O-C-N 124.694 1.246 . . . . 0.0 111.085 175.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.403 HG11 ' CD1' ' A' ' 9' ' ' LEU . 16.1 t -64.2 -52.54 54.64 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.604 0 O-C-N 125.362 1.664 . . . . 0.0 109.758 -174.632 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -49.77 -56.84 2.65 Favored 'Isoleucine or valine' 0 C--N 1.35 0.613 0 CA-C-N 112.093 -2.321 . . . . 0.0 111.336 179.633 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -76.78 -20.29 56.62 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 112.817 -1.992 . . . . 0.0 111.132 -173.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.4 -19.55 38.89 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 124.617 1.198 . . . . 0.0 111.901 178.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.464 ' CD1' ' CD1' ' A' ' 9' ' ' LEU . 0.9 OUTLIER -84.83 -57.15 3.23 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 124.521 1.138 . . . . 0.0 108.46 178.806 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -61.13 -33.33 73.21 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 111.422 -2.627 . . . . 0.0 111.896 -178.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.15 -36.43 77.41 Favored 'General case' 0 C--N 1.359 1.016 0 O-C-N 123.983 0.802 . . . . 0.0 110.939 174.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.34 3.88 37.74 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 114.03 -1.441 . . . . 0.0 112.266 177.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 59.17 62.32 1.86 Allowed 'General case' 0 C--N 1.361 1.106 0 O-C-N 124.247 0.967 . . . . 0.0 111.49 -175.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.412 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 4.5 mptt 27.65 46.31 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.076 0 CA-C-N 112.342 -2.208 . . . . 0.0 114.602 176.173 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -85.94 -17.3 35.83 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 113.183 -1.826 . . . . 0.0 112.13 -165.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . 0.281 1.0 OUTLIER 85.59 -67.77 0.03 OUTLIER 'General case' 0 C--N 1.35 0.62 0 O-C-N 125.641 1.838 . . . . 0.0 111.289 173.458 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -65.18 -45.84 83.22 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 112.903 -1.953 . . . . 0.0 111.105 175.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.9 tp -67.8 -29.43 68.6 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 125.044 1.465 . . . . 0.0 111.867 -178.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.15 -37.75 69.34 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 112.913 -1.949 . . . . 0.0 112.038 177.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.71 12.91 0.91 Allowed 'General case' 0 CA--C 1.547 0.847 0 O-C-N 124.555 1.159 . . . . 0.0 111.755 173.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -119.52 -25.87 5.9 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 113.911 -1.495 . . . . 0.0 109.288 172.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -88.98 -15.49 34.07 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-O 122.144 0.973 . . . . 0.0 111.301 178.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.425 ' CD2' ' CD1' ' A' ' 18' ' ' LEU . 0.9 OUTLIER -92.11 -39.81 11.39 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 113.118 -1.856 . . . . 0.0 110.105 179.328 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.7 mt . . . . . 0 C--N 1.352 0.715 0 CA-C-N 113.673 -1.603 . . . . 0.0 112.112 -172.243 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -0.998 0 N-CA-C 110.525 -0.176 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.8 mm -62.78 -15.4 15.25 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.026 0 C-N-CA 118.98 -1.088 . . . . 0.0 111.949 -174.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -106.13 -27.21 11.23 Favored 'General case' 0 C--N 1.36 1.035 0 O-C-N 124.878 1.361 . . . . 0.0 111.812 176.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -21.83 42.75 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 124.661 1.225 . . . . 0.0 111.508 -178.225 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.499 HD13 ' CD1' ' A' ' 23' ' ' TYR . 19.7 mt -89.38 -30.92 18.02 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-N 113.221 -1.809 . . . . 0.0 109.44 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.81 -31.76 51.95 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 111.234 -2.712 . . . . 0.0 110.365 176.022 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.11 -22.96 57.89 Favored 'General case' 0 C--N 1.358 0.971 0 CA-C-N 113.501 -1.681 . . . . 0.0 111.817 -176.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.402 ' CD1' ' HA ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -56.38 -21.49 25.12 Favored 'General case' 0 CA--C 1.554 1.13 0 O-C-N 125.225 1.578 . . . . 0.0 111.136 169.331 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 122.43 3.71 9.35 Favored Glycine 0 C--N 1.357 1.724 0 O-C-N 124.752 1.283 . . . . 0.0 112.828 175.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -97.78 162.69 21.48 Favored Pre-proline 0 C--O 1.261 1.686 0 CA-C-N 114.215 -0.993 . . . . 0.0 110.809 -174.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -81.22 140.99 12.61 Favored 'Trans proline' 0 CA--C 1.543 0.948 0 C-N-CA 125.141 3.894 . . . . 0.0 112.287 173.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -51.7 -18.62 1.26 Allowed 'General case' 0 CA--C 1.556 1.185 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -41.99 80.47 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 114.571 -1.195 . . . . 0.0 112.135 -176.081 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.413 HD13 ' CD2' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -76.23 -25.8 55.43 Favored 'General case' 0 C--N 1.358 0.972 0 O-C-N 124.598 1.186 . . . . 0.0 110.727 175.819 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.408 HG11 ' CD1' ' A' ' 9' ' ' LEU . 5.9 t -65.19 -49.91 76.65 Favored 'Isoleucine or valine' 0 C--N 1.35 0.622 0 O-C-N 125.799 1.937 . . . . 0.0 109.13 -168.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -51.3 -54.92 9.55 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 CA-C-N 111.787 -2.461 . . . . 0.0 110.459 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -86.25 2.27 47.75 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 125.29 1.619 . . . . 0.0 112.549 -173.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -107.47 -13.91 14.97 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 124.416 1.072 . . . . 0.0 112.055 176.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.499 ' CD1' HD13 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -96.43 -48.33 5.61 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 124.955 1.409 . . . . 0.0 108.212 173.634 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -66.63 -38.75 87.58 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 126.308 2.255 . . . . 0.0 110.961 -176.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.21 -25.24 61.58 Favored 'General case' 0 C--N 1.359 0.979 0 O-C-N 124.58 1.175 . . . . 0.0 111.301 176.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.458 ' SG ' HD22 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -89.92 1.97 55.61 Favored 'General case' 0 C--N 1.352 0.717 0 O-C-N 125.015 1.447 . . . . 0.0 112.754 176.719 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 67.37 70.49 0.36 Allowed 'General case' 0 C--N 1.36 1.022 0 O-C-N 124.698 1.249 . . . . 0.0 110.907 -175.273 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 36.85 32.68 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.162 0 O-C-N 125.228 1.58 . . . . 0.0 113.526 177.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.435 ' O ' ' CE1' ' A' ' 23' ' ' TYR . 0.7 OUTLIER -92.52 151.07 20.38 Favored 'General case' 0 C--O 1.215 -0.747 0 CA-C-N 114.612 -1.176 . . . . 0.0 108.118 -170.169 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.01 -51.25 4.52 Favored 'General case' 0 C--O 1.22 -0.466 0 O-C-N 125.417 1.698 . . . . 0.0 110.667 -174.011 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -68.53 -48.03 65.38 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 112.563 -2.108 . . . . 0.0 110.585 -178.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.458 HD22 ' SG ' ' A' ' 26' ' ' CYS . 0.5 OUTLIER -66.11 -35.18 79.82 Favored 'General case' 0 C--N 1.355 0.846 0 O-C-N 125.375 1.672 . . . . 0.0 110.507 -178.681 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.55 -40.15 88.9 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-N 114.093 -1.412 . . . . 0.0 112.666 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.61 9.29 1.46 Allowed 'General case' 0 CA--C 1.544 0.742 0 O-C-N 125.121 1.513 . . . . 0.0 111.781 175.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -113.79 -31.31 6.48 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 113.962 -1.472 . . . . 0.0 109.591 172.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.431 ' HB2' ' HG ' ' A' ' 26' ' ' CYS . 18.3 t80 -84.19 -9.0 58.9 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-O 121.985 0.898 . . . . 0.0 111.449 176.424 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.413 ' CD2' HD13 ' A' ' 18' ' ' LEU . 0.6 OUTLIER -102.47 -34.88 8.97 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 113.542 -1.663 . . . . 0.0 110.438 179.428 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.4 mt . . . . . 0 C--N 1.354 0.787 0 O-C-N 125.309 1.631 . . . . 0.0 112.489 -169.797 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.798 0 CA-C-O 119.162 -0.447 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 11.6 mt -64.37 -8.16 4.51 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.124 0 C-N-CA 118.506 -1.278 . . . . 0.0 111.7 -177.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.12 -24.78 11.83 Favored 'General case' 0 C--N 1.357 0.911 0 O-C-N 123.959 0.787 . . . . 0.0 111.664 173.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.69 -19.8 37.38 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 124.591 1.182 . . . . 0.0 111.892 -178.499 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.456 HD13 ' CD1' ' A' ' 23' ' ' TYR . 15.6 mt -93.29 -28.82 15.99 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 113.021 -1.899 . . . . 0.0 108.627 -179.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.64 -32.32 41.64 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 111.959 -2.382 . . . . 0.0 110.063 176.132 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.91 -18.32 56.25 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 113.251 -1.795 . . . . 0.0 111.941 -177.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.419 ' CD1' ' HA ' ' A' ' 9' ' ' LEU . 1.9 mt -56.66 -21.23 25.96 Favored 'General case' 0 CA--C 1.551 0.988 0 O-C-N 124.854 1.347 . . . . 0.0 110.922 167.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 127.14 -0.59 7.1 Favored Glycine 0 C--N 1.358 1.791 0 O-C-N 125.153 1.533 . . . . 0.0 112.448 175.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.4 m-30 -102.14 162.06 21.48 Favored Pre-proline 0 C--O 1.251 1.132 0 CA-C-N 113.774 -1.213 . . . . 0.0 110.314 -165.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -79.54 149.78 21.48 Favored 'Trans proline' 0 CA--C 1.538 0.68 0 C-N-CA 124.202 3.268 . . . . 0.0 113.426 176.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.11 -19.53 33.06 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 124.606 1.191 . . . . 0.0 113.57 -178.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 t -76.81 -39.3 51.87 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 113.956 -1.474 . . . . 0.0 111.606 -173.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.497 ' CD1' ' CD2' ' A' ' 37' ' ' LEU . 1.1 pp -80.99 -22.01 39.83 Favored 'General case' 0 C--N 1.36 1.061 0 O-C-N 124.653 1.221 . . . . 0.0 111.216 176.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.7 t -66.32 -52.19 50.09 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 O-C-N 125.659 1.849 . . . . 0.0 110.428 -176.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.71 -56.42 8.98 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 CA-C-N 112.323 -2.217 . . . . 0.0 110.676 -178.329 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -73.73 -17.08 61.16 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 113.922 -1.49 . . . . 0.0 111.956 -177.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.46 -29.82 37.48 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 124.274 0.984 . . . . 0.0 112.193 177.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.456 ' CD1' HD13 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -77.88 -48.0 17.42 Favored 'General case' 0 C--N 1.35 0.589 0 C-N-CA 119.029 -1.068 . . . . 0.0 108.933 179.626 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -64.58 -38.22 90.26 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 111.521 -2.581 . . . . 0.0 111.031 -176.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.32 -29.65 65.27 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.373 176.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.492 ' SG ' HD22 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -93.1 16.56 12.61 Favored 'General case' 0 C--N 1.353 0.718 0 O-C-N 124.887 1.367 . . . . 0.0 112.226 177.299 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 58.7 73.38 0.48 Allowed 'General case' 0 C--N 1.357 0.897 0 CA-C-O 122.103 0.954 . . . . 0.0 110.548 -177.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 30.68 42.43 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.1 0 CA-C-N 112.144 -2.298 . . . . 0.0 115.324 174.293 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -111.16 146.95 35.96 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-N 114.725 -1.125 . . . . 0.0 108.697 -167.346 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.61 -49.58 7.43 Favored 'General case' 0 C--O 1.22 -0.467 0 O-C-N 125.217 1.573 . . . . 0.0 110.49 -172.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.47 -45.79 68.18 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 112.409 -2.178 . . . . 0.0 110.998 179.279 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.492 HD22 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -67.84 -36.55 80.54 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 125.391 1.682 . . . . 0.0 109.923 -176.539 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.416 ' C ' ' H ' ' A' ' 35' ' ' ASN . . . -66.01 -39.98 90.71 Favored 'General case' 0 C--N 1.357 0.928 0 O-C-N 124.483 1.114 . . . . 0.0 112.245 178.526 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.81 10.27 0.92 Allowed 'General case' 0 CA--C 1.552 1.049 0 O-C-N 124.669 1.23 . . . . 0.0 112.398 174.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.416 ' H ' ' C ' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -116.58 -29.42 6.13 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 113.982 -1.463 . . . . 0.0 109.95 172.347 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.474 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 29.0 t80 -86.79 -12.31 48.43 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.734 178.038 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.497 ' CD2' ' CD1' ' A' ' 18' ' ' LEU . 1.4 mt -95.11 -47.95 6.16 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 113.247 -1.797 . . . . 0.0 108.966 179.423 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.4 mt . . . . . 0 C--N 1.35 0.628 0 CA-C-N 113.439 -1.71 . . . . 0.0 112.551 -172.258 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.55 0 CA-C-O 118.969 -0.539 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.2 mt -70.81 -9.77 13.12 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 C-N-CA 118.517 -1.273 . . . . 0.0 111.737 -173.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -98.7 -27.94 13.75 Favored 'General case' 0 C--N 1.357 0.909 0 O-C-N 123.978 0.799 . . . . 0.0 111.398 174.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.56 -41.0 22.24 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 124.841 1.338 . . . . 0.0 110.928 -174.093 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.435 HD13 ' CD1' ' A' ' 23' ' ' TYR . 34.0 mt -60.13 -33.12 71.7 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 111.549 -2.569 . . . . 0.0 110.736 171.002 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.3 -31.67 29.87 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 112.007 -2.36 . . . . 0.0 110.531 177.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.28 -17.7 59.33 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 114.02 -1.446 . . . . 0.0 111.38 -176.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.4 ' CD1' ' HA ' ' A' ' 9' ' ' LEU . 0.6 OUTLIER -60.29 -19.74 56.29 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 113.692 -1.594 . . . . 0.0 111.15 169.762 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 125.42 6.24 6.27 Favored Glycine 0 CA--C 1.542 1.751 0 O-C-N 124.851 1.344 . . . . 0.0 112.543 174.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -104.39 163.43 17.28 Favored Pre-proline 0 C--O 1.249 1.048 0 CA-C-N 114.649 -0.775 . . . . 0.0 108.925 -170.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -87.61 154.96 7.65 Favored 'Trans proline' 0 CA--C 1.545 1.052 1 C-N-CA 125.497 4.132 . . . . 0.0 112.534 171.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -57.96 -11.25 2.26 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.45 -45.5 22.01 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 124.076 0.86 . . . . 0.0 111.941 -173.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 pp -81.66 -23.19 37.05 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-N 114.266 -1.334 . . . . 0.0 110.398 177.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 40.8 t -60.99 -53.42 49.38 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 O-C-N 125.282 1.614 . . . . 0.0 110.554 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -52.44 -55.75 9.6 Favored 'Isoleucine or valine' 0 C--N 1.352 0.712 0 O-C-N 125.862 1.976 . . . . 0.0 110.527 -178.419 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.06 -14.88 59.76 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 113.022 -1.899 . . . . 0.0 111.441 -173.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.97 -25.28 27.87 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 124.353 1.033 . . . . 0.0 112.017 178.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.435 ' CD1' HD13 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -82.52 -50.38 8.89 Favored 'General case' 0 C--N 1.349 0.578 0 O-C-N 124.41 1.069 . . . . 0.0 108.344 178.224 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -63.05 -38.67 92.1 Favored 'General case' 0 CA--C 1.55 0.979 0 CA-C-N 111.923 -2.399 . . . . 0.0 111.371 -177.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.69 -28.74 64.99 Favored 'General case' 0 C--N 1.358 0.97 0 O-C-N 124.104 0.878 . . . . 0.0 111.431 176.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.459 ' SG ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -93.5 9.74 35.35 Favored 'General case' 0 C--N 1.353 0.723 0 O-C-N 124.775 1.297 . . . . 0.0 112.29 178.723 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 63.87 72.28 0.47 Allowed 'General case' 0 C--N 1.361 1.107 0 O-C-N 124.315 1.009 . . . . 0.0 110.183 -176.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 32.46 38.38 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 112.691 -2.05 . . . . 0.0 114.799 176.373 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -100.77 147.23 26.28 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-N 113.96 -1.473 . . . . 0.0 108.552 -168.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.56 -52.02 5.38 Favored 'General case' 0 C--O 1.219 -0.505 0 O-C-N 125.447 1.717 . . . . 0.0 109.738 -173.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -68.12 -45.81 72.62 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 112.963 -1.926 . . . . 0.0 110.961 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.459 HD12 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -68.57 -32.99 73.3 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 125.203 1.564 . . . . 0.0 110.568 -176.521 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.33 -37.7 77.84 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 114.418 -1.265 . . . . 0.0 111.85 177.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.74 10.85 1.22 Allowed 'General case' 0 CA--C 1.549 0.929 0 O-C-N 124.803 1.315 . . . . 0.0 112.058 174.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -118.9 -27.98 5.66 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 114.258 -1.337 . . . . 0.0 109.468 173.276 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -84.0 -17.43 40.51 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 119.504 -0.878 . . . . 0.0 111.019 175.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -92.5 -40.91 10.56 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 113.56 -1.655 . . . . 0.0 110.243 179.288 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.5 mt . . . . . 0 C--N 1.352 0.694 0 O-C-N 125.097 1.498 . . . . 0.0 112.31 -170.0 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.211 -0.922 0 CA-C-O 119.147 -0.454 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 16.1 mt -58.16 -43.27 85.23 Favored 'Isoleucine or valine' 0 C--N 1.354 0.797 0 C-N-CA 118.927 -1.109 . . . . 0.0 111.293 -176.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -76.01 -25.97 56.22 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 119.129 -1.028 . . . . 0.0 111.676 178.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.7 -21.89 40.84 Favored 'General case' 0 C--N 1.346 0.436 0 CA-C-N 114.388 -1.278 . . . . 0.0 111.442 -176.368 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.4 mt -88.55 -31.53 18.61 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 113.214 -1.812 . . . . 0.0 107.753 178.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -34.67 65.66 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 112.836 -1.984 . . . . 0.0 109.814 176.053 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.04 -22.41 61.39 Favored 'General case' 0 C--N 1.348 0.534 0 CA-C-N 113.931 -1.486 . . . . 0.0 112.029 -174.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.21 -24.44 42.1 Favored 'General case' 0 CA--C 1.554 1.116 0 O-C-N 124.832 1.332 . . . . 0.0 111.361 169.386 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 131.54 -0.91 5.16 Favored Glycine 0 CA--C 1.542 1.735 0 O-C-N 124.744 1.277 . . . . 0.0 113.048 175.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -95.14 164.01 20.36 Favored Pre-proline 0 C--N 1.348 0.514 0 O-C-N 124.127 0.545 . . . . 0.0 110.422 -174.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -82.47 149.51 14.77 Favored 'Trans proline' 0 C--N 1.358 1.071 0 C-N-CA 123.525 2.817 . . . . 0.0 112.472 170.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -57.49 -16.79 10.67 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 124.603 1.19 . . . . 0.0 113.051 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.42 -41.01 49.13 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.832 -175.156 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 pp -82.96 -20.34 35.43 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 124.28 0.988 . . . . 0.0 111.044 176.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.6 t -68.51 -51.51 45.93 Favored 'Isoleucine or valine' 0 C--N 1.346 0.454 0 CA-C-N 113.708 -1.587 . . . . 0.0 109.283 -177.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.74 -54.29 20.52 Favored 'Isoleucine or valine' 0 C--N 1.348 0.537 0 CA-C-N 113.094 -1.867 . . . . 0.0 110.973 -177.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -72.53 -18.04 61.68 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 113.085 -1.871 . . . . 0.0 110.848 -176.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.93 -51.92 14.55 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 117.967 -1.493 . . . . 0.0 111.194 177.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.26 -49.49 76.85 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.803 -178.317 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -62.52 -39.66 94.28 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 112.615 -2.084 . . . . 0.0 110.937 -177.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.79 -30.25 66.67 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.722 175.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.407 ' SG ' HD12 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -90.35 9.71 27.82 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 124.537 1.148 . . . . 0.0 112.105 179.032 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 61.41 77.91 0.31 Allowed 'General case' 0 C--N 1.357 0.902 0 O-C-N 124.384 1.053 . . . . 0.0 109.945 -174.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 27.83 47.11 0.02 OUTLIER 'General case' 0 CA--C 1.56 1.345 0 CA-C-N 112.617 -2.083 . . . . 0.0 114.788 176.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -111.95 144.26 41.59 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-N 114.542 -1.208 . . . . 0.0 108.834 -167.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.93 -51.47 6.69 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 125.574 1.796 . . . . 0.0 110.492 -175.605 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -68.77 -45.56 71.06 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 125.543 1.777 . . . . 0.0 110.717 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.407 HD12 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -68.98 -32.09 71.41 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 124.897 1.373 . . . . 0.0 110.59 -177.037 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.93 -36.95 78.57 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 114.639 -1.164 . . . . 0.0 111.714 176.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.44 12.54 0.96 Allowed 'General case' 0 CA--C 1.549 0.925 0 O-C-N 124.542 1.151 . . . . 0.0 112.2 172.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -118.7 -26.7 6.04 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 114.452 -1.249 . . . . 0.0 109.582 173.32 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -88.75 -15.44 34.71 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.839 175.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.96 -35.77 12.49 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 114.219 -1.355 . . . . 0.0 109.7 178.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 mt . . . . . 0 C--N 1.349 0.549 0 O-C-N 124.86 1.35 . . . . 0.0 111.181 -170.796 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.404 ' CB ' ' CZ ' ' A' ' 23' ' ' TYR . . . . . . . . 0 N--CA 1.446 -0.658 0 CA-C-O 119.315 -0.374 . . . . 0.0 110.714 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 mm -65.9 -11.54 12.68 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.187 0 C-N-CA 119.021 -1.072 . . . . 0.0 111.477 -173.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -105.51 -27.59 11.32 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 114.623 -1.171 . . . . 0.0 111.255 176.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.95 -21.14 40.64 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 124.617 1.198 . . . . 0.0 111.526 -179.099 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.412 HD13 ' CD1' ' A' ' 23' ' ' TYR . 16.8 mt -89.41 -29.15 19.27 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 113.326 -1.761 . . . . 0.0 108.726 179.194 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.47 -33.84 41.94 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 111.968 -2.378 . . . . 0.0 110.254 177.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.34 -21.17 56.47 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 113.028 -1.897 . . . . 0.0 111.665 -176.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.406 ' CD1' ' HA ' ' A' ' 9' ' ' LEU . 2.5 mt -57.02 -21.89 34.42 Favored 'General case' 0 CA--C 1.555 1.158 0 O-C-N 125.075 1.484 . . . . 0.0 110.908 169.564 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.49 -3.91 6.64 Favored Glycine 0 CA--C 1.544 1.857 0 O-C-N 124.659 1.224 . . . . 0.0 113.124 175.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -95.27 160.99 29.51 Favored Pre-proline 0 C--O 1.215 -0.752 0 CA-C-N 114.383 -0.908 . . . . 0.0 109.536 -172.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -78.24 151.38 26.52 Favored 'Trans proline' 0 C--N 1.369 1.636 0 C-N-CA 123.151 2.567 . . . . 0.0 113.19 173.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.09 -21.54 46.51 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 124.509 1.131 . . . . 0.0 113.429 -178.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -76.2 -38.64 56.25 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 113.312 -1.767 . . . . 0.0 111.575 -172.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.412 ' CD1' ' CD2' ' A' ' 37' ' ' LEU . 1.2 pp -82.28 -21.23 36.27 Favored 'General case' 0 C--N 1.357 0.921 0 O-C-N 124.68 1.237 . . . . 0.0 110.986 176.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 37.9 t -65.73 -52.07 54.54 Favored 'Isoleucine or valine' 0 C--N 1.348 0.535 0 O-C-N 125.622 1.827 . . . . 0.0 110.111 -177.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -51.67 -53.36 17.07 Favored 'Isoleucine or valine' 0 C--N 1.348 0.538 0 O-C-N 125.967 2.042 . . . . 0.0 110.656 -177.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.59 -14.65 58.02 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-N 112.619 -2.082 . . . . 0.0 111.458 -173.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.45 -24.12 29.64 Favored 'General case' 0 C--N 1.351 0.643 0 O-C-N 124.45 1.094 . . . . 0.0 111.703 176.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.412 ' CD1' HD13 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -83.11 -51.51 7.46 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 124.629 1.206 . . . . 0.0 108.487 178.789 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -65.58 -34.44 78.24 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 112.313 -2.221 . . . . 0.0 111.956 -178.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.72 -28.94 65.1 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 124.177 0.923 . . . . 0.0 111.199 173.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -88.95 -1.47 58.12 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 124.714 1.259 . . . . 0.0 112.192 176.042 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 61.57 66.49 0.85 Allowed 'General case' 0 C--N 1.357 0.899 0 O-C-N 124.373 1.045 . . . . 0.0 111.308 -174.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.404 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 31.12 42.46 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 113.3 -1.773 . . . . 0.0 114.015 175.092 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -86.89 -17.96 32.01 Favored 'General case' 0 C--N 1.348 0.515 0 CA-C-N 113.326 -1.761 . . . . 0.0 111.159 -164.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . 0.298 0.5 OUTLIER 84.64 -73.24 0.03 OUTLIER 'General case' 0 C--N 1.346 0.423 0 O-C-N 125.52 1.763 . . . . 0.0 111.075 172.516 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -62.83 -45.02 94.55 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 125.981 2.051 . . . . 0.0 111.241 176.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.2 tp -66.44 -30.33 70.66 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 125.145 1.528 . . . . 0.0 111.328 -178.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.57 -37.78 71.02 Favored 'General case' 0 C--N 1.349 0.58 0 CA-C-N 113.272 -1.785 . . . . 0.0 111.554 179.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.3 11.74 1.44 Allowed 'General case' 0 CA--C 1.548 0.898 0 O-C-N 124.811 1.32 . . . . 0.0 111.713 173.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -118.58 -24.94 6.58 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 114.299 -1.319 . . . . 0.0 109.709 173.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -87.7 -20.67 25.94 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 114.834 -1.076 . . . . 0.0 110.02 174.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.412 ' CD2' ' CD1' ' A' ' 18' ' ' LEU . 0.6 OUTLIER -88.66 -39.49 13.99 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 114.468 -1.242 . . . . 0.0 110.263 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.4 mt . . . . . 0 C--N 1.348 0.512 0 O-C-N 125.259 1.6 . . . . 0.0 111.651 -169.957 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.501 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -126.16 9.88 7.42 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 124.641 1.213 . . . . 0.0 111.529 -178.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -17.76 63.99 Favored 'General case' 0 C--N 1.353 0.729 0 O-C-N 124.824 1.327 . . . . 0.0 112.716 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.99 -21.56 66.41 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-N 113.871 -1.513 . . . . 0.0 111.379 179.131 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -92.66 -29.28 16.18 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-N 112.985 -1.916 . . . . 0.0 110.557 176.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.5 mm -63.67 -12.16 10.52 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.113 0 C-N-CA 119.387 -0.925 . . . . 0.0 111.722 -173.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -106.91 -28.36 10.13 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 114.531 -1.213 . . . . 0.0 111.266 177.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.12 -21.48 43.17 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 124.464 1.102 . . . . 0.0 111.67 -179.201 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.442 HD13 ' CD1' ' A' ' 23' ' ' TYR . 22.9 mt -89.16 -31.2 18.08 Favored 'General case' 0 C--N 1.346 0.452 0 CA-C-N 113.273 -1.785 . . . . 0.0 108.873 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.59 -31.88 47.35 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 111.436 -2.62 . . . . 0.0 110.169 176.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.94 -21.29 57.19 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 114.214 -1.357 . . . . 0.0 111.819 -176.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.08 -22.85 30.17 Favored 'General case' 0 CA--C 1.555 1.146 0 O-C-N 125.056 1.473 . . . . 0.0 111.053 169.298 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.74 6.46 8.58 Favored Glycine 0 CA--C 1.539 1.575 0 O-C-N 124.699 1.249 . . . . 0.0 112.911 175.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -98.03 162.8 20.93 Favored Pre-proline 0 C--N 1.347 0.474 0 O-C-N 124.423 0.719 . . . . 0.0 110.648 -175.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -78.57 141.36 17.53 Favored 'Trans proline' 0 C--N 1.359 1.117 0 C-N-CA 123.386 2.724 . . . . 0.0 113.076 173.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.43 -20.13 2.64 Favored 'General case' 0 CA--C 1.551 0.983 0 O-C-N 124.485 1.116 . . . . 0.0 113.809 -178.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 t -72.09 -38.63 69.33 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 113.998 -1.456 . . . . 0.0 111.663 -175.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.424 HD13 ' CD2' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -76.83 -26.06 53.93 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 118.757 -1.177 . . . . 0.0 111.176 173.896 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 37.2 t -65.84 -51.57 59.95 Favored 'Isoleucine or valine' 0 C--N 1.353 0.742 0 O-C-N 125.473 1.733 . . . . 0.0 109.197 -168.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -50.97 -53.12 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 111.556 -2.566 . . . . 0.0 111.4 178.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -86.83 -3.06 59.02 Favored 'General case' 0 C--O 1.218 -0.569 0 O-C-N 125.656 1.848 . . . . 0.0 112.095 -172.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.21 -18.25 19.37 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 124.558 1.161 . . . . 0.0 110.819 173.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.442 ' CD1' HD13 ' A' ' 9' ' ' LEU . 1.2 t80 -88.96 -59.07 2.33 Favored 'General case' 0 C--N 1.347 0.475 0 O-C-N 124.329 1.018 . . . . 0.0 108.371 177.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -57.88 -34.16 69.48 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 112.702 -2.045 . . . . 0.0 112.506 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.54 -34.02 65.0 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 119.546 -0.861 . . . . 0.0 111.171 177.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.42 ' HG ' ' HB2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -88.58 15.07 8.59 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.648 1.218 . . . . 0.0 112.016 179.237 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 61.63 69.04 0.67 Allowed 'General case' 0 C--N 1.358 0.974 0 CA-C-O 121.894 0.854 . . . . 0.0 110.134 -174.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 26.45 45.66 0.01 OUTLIER 'General case' 0 CA--C 1.565 1.536 0 CA-C-N 113.268 -1.787 . . . . 0.0 114.431 176.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -107.44 140.48 40.33 Favored 'General case' 0 C--O 1.212 -0.914 0 CA-C-N 114.075 -1.421 . . . . 0.0 108.527 -167.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.8 -58.11 3.96 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 124.834 1.334 . . . . 0.0 111.058 -177.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.17 -46.57 80.3 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 113.886 -1.506 . . . . 0.0 111.42 -174.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.408 ' HG ' ' SG ' ' A' ' 26' ' ' CYS . 3.8 tp -67.13 -31.32 71.69 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 113.474 -1.694 . . . . 0.0 111.707 -177.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.03 -37.44 69.75 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 124.87 1.356 . . . . 0.0 111.901 176.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.54 9.44 1.76 Allowed 'General case' 0 CA--C 1.548 0.897 0 O-C-N 124.521 1.138 . . . . 0.0 112.022 173.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -113.93 -30.97 6.55 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 114.167 -1.379 . . . . 0.0 109.105 171.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.42 ' HB2' ' HG ' ' A' ' 26' ' ' CYS . 6.1 t80 -78.69 -21.14 48.64 Favored 'General case' 0 CA--C 1.557 1.245 0 CA-C-O 123.177 1.465 . . . . 0.0 109.966 175.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.424 ' CD2' HD13 ' A' ' 18' ' ' LEU . 0.6 OUTLIER -92.32 -36.56 13.12 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 113.771 -1.559 . . . . 0.0 110.512 -176.726 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.2 mt -111.37 -7.71 14.36 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 125.114 1.509 . . . . 0.0 111.25 -168.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.39 -10.43 7.46 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 124.617 1.198 . . . . 0.0 111.557 -178.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -106.05 29.1 7.01 Favored 'General case' 0 C--N 1.355 0.824 0 O-C-N 124.348 1.03 . . . . 0.0 110.666 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -47.08 -50.15 20.35 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 124.764 1.29 . . . . 0.0 112.943 -179.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -52.99 91.07 0.01 OUTLIER 'General case' 0 C--N 1.358 0.936 0 O-C-N 125.723 1.89 . . . . 0.0 111.374 174.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 175.79 134.29 0.05 OUTLIER 'General case' 0 C--N 1.349 0.572 0 CA-C-N 112.547 -2.115 . . . . 0.0 108.087 -176.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.441 ' O ' ' O ' ' A' ' 45' ' ' GLU . 0.3 OUTLIER -117.72 149.6 40.49 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 112.722 -2.036 . . . . 0.0 106.933 175.511 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.441 ' O ' ' O ' ' A' ' 44' ' ' ASP . 11.4 pt-20 . . . . . 0 C--O 1.277 2.521 1 CA-C-O 108.335 -5.602 . . . . 0.0 113.181 177.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 CA--C 1.534 0.341 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 85.52 -4.62 0.86 Allowed 'General case' 0 C--N 1.348 0.504 0 CA-C-N 113.194 -1.821 . . . . 0.0 113.066 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -18.92 25.78 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 124.909 1.381 . . . . 0.0 113.56 178.069 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.66 -38.63 87.24 Favored 'General case' 0 C--N 1.35 0.598 0 O-C-N 124.768 1.293 . . . . 0.0 111.313 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.31 -27.07 56.43 Favored 'General case' 0 C--O 1.213 -0.843 0 CA-C-N 113.578 -1.646 . . . . 0.0 110.02 174.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 14.3 mt -69.4 -9.18 11.76 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.024 0 C-N-CA 118.974 -1.091 . . . . 0.0 112.144 -172.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -105.14 -27.15 11.77 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 123.898 0.749 . . . . 0.0 110.955 174.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.04 -23.81 38.31 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 124.705 1.253 . . . . 0.0 111.021 -178.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.468 HD13 ' CD1' ' A' ' 23' ' ' TYR . 32.2 mt -84.4 -29.9 25.82 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 112.922 -1.945 . . . . 0.0 109.063 178.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.55 -31.23 37.01 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 112.117 -2.31 . . . . 0.0 110.04 178.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.64 -20.52 59.86 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 113.75 -1.568 . . . . 0.0 111.591 -176.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.403 ' CD1' ' HA ' ' A' ' 9' ' ' LEU . 1.5 mt -57.97 -21.41 44.34 Favored 'General case' 0 CA--C 1.556 1.187 0 O-C-N 125.054 1.471 . . . . 0.0 110.875 169.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 123.9 12.31 4.51 Favored Glycine 0 CA--C 1.546 2.007 0 O-C-N 124.473 1.108 . . . . 0.0 113.055 175.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -107.9 161.02 24.72 Favored Pre-proline 0 CA--C 1.544 0.735 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 -172.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -84.64 148.76 11.21 Favored 'Trans proline' 0 CA--C 1.547 1.169 0 C-N-CA 124.932 3.754 . . . . 0.0 113.3 170.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -52.67 -17.85 1.51 Allowed 'General case' 0 C--N 1.361 1.093 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.82 -44.18 50.68 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 124.284 0.99 . . . . 0.0 112.103 -174.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 pp -83.5 -20.12 34.52 Favored 'General case' 0 C--N 1.355 0.814 0 O-C-N 124.417 1.073 . . . . 0.0 111.14 177.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.1 t -66.79 -49.56 73.24 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 O-C-N 125.382 1.676 . . . . 0.0 110.014 -178.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -56.18 -54.04 32.24 Favored 'Isoleucine or valine' 0 C--N 1.351 0.641 0 CA-C-N 113.01 -1.905 . . . . 0.0 110.75 -177.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -71.95 -23.08 61.39 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 112.785 -2.007 . . . . 0.0 110.655 -177.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.68 -48.42 59.77 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 118.627 -1.229 . . . . 0.0 110.787 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.468 ' CD1' HD13 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -62.52 -50.91 69.5 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 124.502 1.126 . . . . 0.0 110.212 -178.392 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -62.53 -37.82 87.58 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 112.366 -2.197 . . . . 0.0 112.126 -177.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.77 -29.87 63.66 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 124.392 1.058 . . . . 0.0 110.977 176.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -91.57 8.89 34.47 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 124.935 1.397 . . . . 0.0 112.04 177.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 62.37 74.32 0.44 Allowed 'General case' 0 C--N 1.359 1.02 0 O-C-N 123.823 0.702 . . . . 0.0 111.067 -175.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 27.21 42.0 0.0 OUTLIER 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 126.119 1.768 . . . . 0.0 114.291 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -102.13 149.23 24.49 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 114.836 -1.075 . . . . 0.0 108.188 -170.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.43 -54.6 4.1 Favored 'General case' 0 C--N 1.345 0.398 0 O-C-N 125.229 1.581 . . . . 0.0 110.36 -173.358 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -67.0 -45.82 76.42 Favored 'General case' 0 C--N 1.347 0.464 0 CA-C-N 113.348 -1.751 . . . . 0.0 110.928 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 tp -65.87 -32.68 74.33 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 125.206 1.566 . . . . 0.0 111.363 -177.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.25 -36.57 71.82 Favored 'General case' 0 C--N 1.354 0.804 0 O-C-N 125.135 1.522 . . . . 0.0 112.215 176.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.43 10.73 1.5 Allowed 'General case' 0 CA--C 1.549 0.931 0 O-C-N 124.541 1.151 . . . . 0.0 111.844 173.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -116.31 -30.43 5.93 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 113.951 -1.477 . . . . 0.0 109.277 172.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -79.89 -23.36 41.9 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-O 122.82 1.295 . . . . 0.0 109.272 175.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.21 -42.53 13.74 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 113.877 -1.51 . . . . 0.0 110.281 -178.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.8 mt -107.15 -5.1 18.19 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 113.719 -1.582 . . . . 0.0 112.47 -166.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.84 -8.09 6.1 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 124.408 1.068 . . . . 0.0 111.029 -179.06 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.16 61.85 0.61 Allowed 'General case' 0 C--N 1.357 0.915 0 CA-C-O 122.549 1.166 . . . . 0.0 108.776 178.101 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -149.42 -157.49 0.82 Allowed 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 112.278 -2.237 . . . . 0.0 107.028 176.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -150.95 146.11 26.04 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 105.994 -1.854 . . . . 0.0 105.994 -174.017 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -44.6 143.91 1.23 Allowed 'General case' 0 C--N 1.356 0.848 0 CA-C-N 113.692 -1.594 . . . . 0.0 110.866 175.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 45' ' ' GLU . 1.4 p30 -47.65 125.31 8.32 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 125.514 1.759 . . . . 0.0 111.893 177.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 44' ' ' ASP . 7.2 tt0 . . . . . 0 C--O 1.251 1.165 1 CA-C-O 107.262 -6.113 . . . . 0.0 111.041 -175.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 . . . . . 0 N--CA 1.456 -0.133 0 CA-C-O 122.454 1.121 . . . . 0.0 109.947 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 86.74 -23.04 0.15 Allowed 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 111.51 -2.586 . . . . 0.0 113.121 176.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -45.98 -26.72 0.76 Allowed 'General case' 0 C--N 1.357 0.933 0 C-N-CA 126.59 1.956 . . . . 0.0 114.115 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.04 -57.71 11.63 Favored 'General case' 0 C--N 1.347 0.487 0 O-C-N 125.065 1.478 . . . . 0.0 110.581 178.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.47 -29.2 68.58 Favored 'General case' 0 C--O 1.21 -0.987 0 CA-C-N 112.556 -2.111 . . . . 0.0 110.286 178.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.6 mt -56.78 -44.65 82.19 Favored 'Isoleucine or valine' 0 C--N 1.359 1.012 0 C-N-CA 118.52 -1.272 . . . . 0.0 111.199 -175.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.22 -23.6 54.59 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 119.019 -1.072 . . . . 0.0 112.361 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.11 -23.33 38.46 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 114.351 -1.295 . . . . 0.0 111.506 -176.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.441 ' CD1' ' CD1' ' A' ' 23' ' ' TYR . 15.6 mt -88.71 -29.31 19.95 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 112.973 -1.921 . . . . 0.0 108.338 178.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.0 -32.39 57.16 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 112.949 -1.932 . . . . 0.0 110.019 176.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.76 -21.65 59.22 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-N 113.665 -1.607 . . . . 0.0 111.652 -174.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.51 -23.87 52.72 Favored 'General case' 0 CA--C 1.555 1.159 0 O-C-N 124.896 1.372 . . . . 0.0 110.883 169.293 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.16 -1.52 5.79 Favored Glycine 0 CA--C 1.545 1.957 0 O-C-N 124.668 1.23 . . . . 0.0 113.182 175.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -93.54 163.22 25.26 Favored Pre-proline 0 C--O 1.204 -1.297 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -175.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -81.87 143.9 13.38 Favored 'Trans proline' 0 C--N 1.379 2.153 0 C-N-CA 123.231 2.621 . . . . 0.0 113.158 170.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -53.86 -20.02 5.28 Favored 'General case' 0 C--N 1.363 1.163 0 O-C-N 124.088 0.867 . . . . 0.0 113.111 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 43.1 t -70.9 -44.35 66.44 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.819 -177.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 pp -78.43 -22.9 47.01 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 124.224 0.953 . . . . 0.0 111.029 176.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.0 t -66.74 -50.42 65.87 Favored 'Isoleucine or valine' 0 C--N 1.352 0.706 0 O-C-N 125.48 1.737 . . . . 0.0 110.001 -175.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -52.36 -53.35 19.78 Favored 'Isoleucine or valine' 0 C--N 1.349 0.576 0 O-C-N 125.77 1.918 . . . . 0.0 110.951 -176.364 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -76.7 -21.98 54.59 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 112.726 -2.034 . . . . 0.0 111.09 -177.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.4 -22.13 44.71 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 119.219 -0.992 . . . . 0.0 112.023 178.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.441 ' CD1' ' CD1' ' A' ' 9' ' ' LEU . 1.2 t80 -85.96 -50.49 7.04 Favored 'General case' 0 C--N 1.346 0.438 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 178.13 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -65.51 -35.27 80.37 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 111.611 -2.54 . . . . 0.0 111.308 -174.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.27 -31.83 66.12 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 123.984 0.802 . . . . 0.0 110.867 175.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.456 ' SG ' HD22 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -89.09 13.25 13.5 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 124.647 1.217 . . . . 0.0 112.471 178.708 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 64.52 67.12 0.58 Allowed 'General case' 0 C--N 1.359 1.015 0 CA-C-O 122.356 1.074 . . . . 0.0 110.028 -177.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 30.92 41.99 0.01 OUTLIER 'General case' 0 CA--C 1.563 1.479 0 CA-C-N 112.728 -2.033 . . . . 0.0 114.383 178.173 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -104.26 147.31 27.63 Favored 'General case' 0 C--O 1.209 -1.04 0 CA-C-N 114.625 -1.17 . . . . 0.0 108.445 -168.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.31 -51.61 6.46 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 125.251 1.594 . . . . 0.0 109.926 -174.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -67.91 -46.51 71.35 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 113.724 -1.58 . . . . 0.0 111.041 -178.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.456 HD22 ' SG ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -67.96 -34.27 76.23 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 125.083 1.489 . . . . 0.0 110.243 -177.39 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.31 -37.61 83.63 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 124.313 1.008 . . . . 0.0 111.831 176.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.17 13.06 0.76 Allowed 'General case' 0 CA--C 1.55 0.967 0 O-C-N 124.758 1.286 . . . . 0.0 111.921 173.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.34 -35.35 4.66 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 114.125 -1.398 . . . . 0.0 108.447 171.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -80.16 -18.51 49.53 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.378 178.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.06 -37.72 12.01 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 113.922 -1.49 . . . . 0.0 110.322 -178.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.9 mt -108.03 -10.57 15.45 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 124.991 1.432 . . . . 0.0 111.586 -168.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.48 1.84 7.65 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 124.582 1.176 . . . . 0.0 110.966 -178.342 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -41.34 121.74 1.7 Allowed 'General case' 0 C--N 1.366 1.308 0 O-C-N 124.494 1.121 . . . . 0.0 110.444 171.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -120.59 -89.12 0.61 Allowed 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 111.894 -2.412 . . . . 0.0 106.759 179.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -178.45 31.58 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.699 0 O-C-N 124.836 1.335 . . . . 0.0 110.241 -170.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 69.06 -178.17 0.22 Allowed 'General case' 0 CA--C 1.546 0.809 0 O-C-N 123.904 0.753 . . . . 0.0 109.946 -177.256 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 49.6 p30 -113.62 46.6 1.27 Allowed 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 114.029 -1.442 . . . . 0.0 111.289 -177.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 . . . . . 0 CA--C 1.549 0.907 0 O-C-N 124.71 1.256 . . . . 0.0 110.266 179.175 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.531 0.23 0 CA-C-O 121.492 0.663 . . . . 0.0 110.038 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 60.72 37.87 18.69 Favored 'General case' 0 C--N 1.348 0.521 0 CA-C-N 112.739 -2.028 . . . . 0.0 112.119 176.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -61.58 -27.74 68.85 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 125.372 1.67 . . . . 0.0 112.896 -175.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -59.87 -29.73 68.51 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 125.32 1.638 . . . . 0.0 111.7 175.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.86 -33.31 15.71 Favored 'General case' 0 C--O 1.211 -0.936 0 CA-C-N 112.797 -2.001 . . . . 0.0 110.211 176.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.4 mm -55.74 -44.15 76.2 Favored 'Isoleucine or valine' 0 C--N 1.359 1.008 0 C-N-CA 119.231 -0.988 . . . . 0.0 110.74 -173.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.19 -23.97 47.34 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 115.157 -0.928 . . . . 0.0 112.975 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.23 -19.23 40.11 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 114.406 -1.27 . . . . 0.0 111.618 -178.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.41 ' CD1' ' CD1' ' A' ' 23' ' ' TYR . 13.8 mt -90.02 -28.81 18.83 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 113.288 -1.778 . . . . 0.0 108.534 178.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.05 -31.25 44.45 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 112.196 -2.274 . . . . 0.0 110.256 175.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.51 -22.48 57.1 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 113.542 -1.663 . . . . 0.0 111.674 -175.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.94 -22.83 28.4 Favored 'General case' 0 CA--C 1.554 1.115 0 O-C-N 124.994 1.434 . . . . 0.0 110.871 169.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.81 -1.95 6.37 Favored Glycine 0 CA--C 1.541 1.677 0 O-C-N 124.667 1.23 . . . . 0.0 113.165 176.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -96.28 163.08 21.56 Favored Pre-proline 0 C--N 1.348 0.526 0 CA-C-N 114.619 -0.791 . . . . 0.0 110.424 -173.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -83.51 143.82 11.11 Favored 'Trans proline' 0 C--N 1.365 1.424 0 C-N-CA 123.201 2.601 . . . . 0.0 112.895 172.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -54.53 -18.46 4.39 Favored 'General case' 0 CA--C 1.557 1.233 0 O-C-N 124.194 0.934 . . . . 0.0 112.821 -178.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.95 -43.6 82.72 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 114.095 -1.411 . . . . 0.0 111.946 -177.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.81 -22.68 42.76 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 124.494 1.121 . . . . 0.0 111.08 176.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.6 t -65.71 -49.16 79.32 Favored 'Isoleucine or valine' 0 C--N 1.354 0.789 0 O-C-N 125.54 1.775 . . . . 0.0 109.664 -173.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -51.94 -57.36 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 CA-C-N 112.427 -2.17 . . . . 0.0 109.995 179.227 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -80.24 -2.26 44.24 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 124.599 1.187 . . . . 0.0 112.771 -175.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.75 -20.04 17.13 Favored 'General case' 0 C--N 1.354 0.778 0 O-C-N 124.009 0.818 . . . . 0.0 112.251 176.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.41 ' CD1' ' CD1' ' A' ' 9' ' ' LEU . 0.6 OUTLIER -89.67 -43.85 10.44 Favored 'General case' 0 C--N 1.348 0.526 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 175.026 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -72.16 -37.37 69.39 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-N 112.223 -2.262 . . . . 0.0 111.33 -173.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.61 -25.38 62.15 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 124.349 1.031 . . . . 0.0 111.525 174.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -92.57 8.59 38.26 Favored 'General case' 0 C--N 1.351 0.638 0 O-C-N 124.731 1.269 . . . . 0.0 112.615 177.249 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 64.69 70.72 0.48 Allowed 'General case' 0 C--N 1.355 0.825 0 CA-C-O 121.885 0.85 . . . . 0.0 110.526 -177.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.6 mptt 33.32 36.81 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.335 0 CA-C-N 113.285 -1.78 . . . . 0.0 114.478 178.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -96.38 156.73 16.22 Favored 'General case' 0 C--O 1.212 -0.89 0 CA-C-N 114.009 -1.451 . . . . 0.0 107.811 -170.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.14 -59.54 1.87 Allowed 'General case' 0 C--N 1.35 0.609 0 O-C-N 125.823 1.952 . . . . 0.0 110.288 -173.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.08 -43.65 82.04 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 125.021 1.451 . . . . 0.0 111.025 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tp -64.31 -34.15 77.47 Favored 'General case' 0 C--N 1.347 0.48 0 CA-C-N 113.429 -1.714 . . . . 0.0 111.157 -179.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.66 -40.11 80.36 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 125.149 1.531 . . . . 0.0 112.074 176.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.88 9.54 1.48 Allowed 'General case' 0 CA--C 1.546 0.795 0 O-C-N 124.722 1.264 . . . . 0.0 111.585 173.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -113.09 -30.13 7.09 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 114.264 -1.335 . . . . 0.0 109.866 172.077 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -83.57 -14.97 50.91 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-O 122.497 1.141 . . . . 0.0 110.336 175.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.75 -35.72 10.89 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 113.907 -1.497 . . . . 0.0 110.406 -179.391 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.7 mt -113.65 -3.92 13.52 Favored 'General case' 0 C--N 1.349 0.563 0 O-C-N 125.161 1.538 . . . . 0.0 112.075 -170.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.92 -9.96 1.79 Allowed 'General case' 0 C--N 1.353 0.757 0 O-C-N 124.387 1.055 . . . . 0.0 112.033 -175.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 20.1 tp60 -54.21 113.75 1.37 Allowed 'General case' 0 C--N 1.36 1.048 0 O-C-N 124.553 1.158 . . . . 0.0 109.714 172.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -116.96 -75.19 0.58 Allowed 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 111.805 -2.452 . . . . 0.0 108.206 178.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -171.23 -161.05 0.2 Allowed 'General case' 0 CA--C 1.552 1.057 0 O-C-N 125.013 1.446 . . . . 0.0 108.485 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -152.72 160.27 43.14 Favored 'General case' 0 C--N 1.358 0.968 0 CA-C-N 113.19 -1.823 . . . . 0.0 107.978 -178.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -170.78 90.82 0.15 Allowed 'General case' 0 C--N 1.357 0.929 0 CA-C-N 113.287 -1.779 . . . . 0.0 108.344 178.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 . . . . . 0 C--N 1.351 0.659 0 CA-C-N 114.384 -1.28 . . . . 0.0 110.475 178.638 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.533 0.289 0 CA-C-O 121.003 0.43 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -112.05 -15.39 13.28 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 114.232 -1.349 . . . . 0.0 113.708 -175.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.4 pttp -45.45 -25.79 0.47 Allowed 'General case' 0 CA--C 1.55 0.964 0 O-C-N 125.522 1.764 . . . . 0.0 114.531 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.13 -53.43 58.32 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 124.996 1.435 . . . . 0.0 111.738 176.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.17 -27.0 64.17 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 113.191 -1.822 . . . . 0.0 110.002 175.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 13.2 mt -67.22 -9.55 10.24 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.029 0 C-N-CA 119.101 -1.04 . . . . 0.0 112.202 -173.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -105.83 -26.95 11.53 Favored 'General case' 0 C--N 1.354 0.791 0 O-C-N 123.689 0.618 . . . . 0.0 111.156 174.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.37 -25.11 42.25 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 124.712 1.257 . . . . 0.0 111.016 -177.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.465 HD13 ' CD1' ' A' ' 23' ' ' TYR . 20.8 mt -84.87 -32.48 23.19 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-N 112.482 -2.145 . . . . 0.0 108.305 178.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.23 -29.49 54.11 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 112.862 -1.972 . . . . 0.0 110.695 178.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.28 -20.43 57.36 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 113.453 -1.703 . . . . 0.0 111.525 -175.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.39 -22.89 55.49 Favored 'General case' 0 CA--C 1.555 1.147 0 O-C-N 125.015 1.447 . . . . 0.0 110.989 169.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.99 0.28 6.01 Favored Glycine 0 CA--C 1.545 1.927 0 O-C-N 124.843 1.339 . . . . 0.0 113.127 176.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -94.27 163.66 22.57 Favored Pre-proline 0 C--O 1.248 0.993 0 O-C-N 124.1 0.53 . . . . 0.0 110.847 -174.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -80.93 150.03 18.05 Favored 'Trans proline' 0 CA--C 1.545 1.075 0 C-N-CA 124.792 3.662 . . . . 0.0 113.734 169.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -54.74 -20.19 7.89 Favored 'General case' 0 C--N 1.358 0.957 0 C-N-CA 124.584 1.154 . . . . 0.0 113.42 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.93 -40.42 32.06 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 114.162 -1.381 . . . . 0.0 111.567 -172.039 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 pp -81.23 -23.07 38.3 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 124.77 1.294 . . . . 0.0 110.755 176.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.3 t -65.21 -52.21 55.55 Favored 'Isoleucine or valine' 0 C--N 1.35 0.63 0 O-C-N 125.486 1.741 . . . . 0.0 110.28 -176.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -51.87 -57.76 3.18 Favored 'Isoleucine or valine' 0 C--N 1.351 0.667 0 CA-C-N 112.183 -2.28 . . . . 0.0 110.695 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -72.87 -17.02 61.57 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 113.141 -1.845 . . . . 0.0 111.549 -176.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.71 -24.58 31.17 Favored 'General case' 0 C--N 1.351 0.643 0 O-C-N 124.571 1.169 . . . . 0.0 112.242 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.465 ' CD1' HD13 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -83.36 -48.64 10.18 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 118.801 -1.16 . . . . 0.0 108.856 178.912 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -65.04 -36.66 85.07 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 112.232 -2.258 . . . . 0.0 111.57 -178.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.36 -29.53 66.23 Favored 'General case' 0 C--N 1.357 0.919 0 O-C-N 123.893 0.745 . . . . 0.0 110.871 175.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.87 11.35 20.55 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 124.861 1.35 . . . . 0.0 112.127 176.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 59.26 73.82 0.47 Allowed 'General case' 0 C--N 1.357 0.91 0 CA-C-O 122.409 1.1 . . . . 0.0 110.273 -176.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 27.12 50.44 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.197 0 CA-C-N 111.562 -2.563 . . . . 0.0 114.86 176.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.25 149.09 38.32 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-N 114.32 -1.309 . . . . 0.0 108.977 -169.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.01 -51.63 5.5 Favored 'General case' 0 C--O 1.221 -0.407 0 O-C-N 125.241 1.588 . . . . 0.0 111.17 -172.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -67.74 -46.52 71.89 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 113.1 -1.864 . . . . 0.0 110.432 178.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 tp -65.89 -33.82 76.71 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 125.32 1.638 . . . . 0.0 111.047 -176.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.4 -36.59 71.43 Favored 'General case' 0 C--N 1.355 0.833 0 O-C-N 125.174 1.546 . . . . 0.0 112.129 177.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.14 11.99 1.31 Allowed 'General case' 0 CA--C 1.551 0.981 0 O-C-N 124.635 1.21 . . . . 0.0 111.43 172.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -118.32 -24.08 7.03 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 114.024 -1.444 . . . . 0.0 110.036 173.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -90.1 -19.73 23.99 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 124.192 0.933 . . . . 0.0 110.78 174.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.45 -37.48 15.79 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.239 -1.346 . . . . 0.0 109.949 179.186 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mt -109.98 -4.85 15.67 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 125.174 1.546 . . . . 0.0 111.396 -170.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.33 23.59 0.92 Allowed 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 114.2 -1.364 . . . . 0.0 109.752 -177.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -38.25 -46.79 1.12 Allowed 'General case' 0 C--N 1.365 1.256 0 O-C-N 125.145 1.528 . . . . 0.0 112.52 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -161.51 -69.1 0.06 Allowed 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 112.187 -2.279 . . . . 0.0 108.763 174.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -71.99 130.58 41.31 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 113.753 -1.567 . . . . 0.0 109.989 -173.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.6 t70 169.04 109.17 0.01 OUTLIER 'General case' 0 C--N 1.355 0.848 0 O-C-N 125.561 1.788 . . . . 0.0 107.207 -176.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 59.25 91.66 0.04 OUTLIER 'General case' 0 C--N 1.354 0.789 0 O-C-N 124.946 1.404 . . . . 0.0 110.745 173.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 . . . . . 0 CA--C 1.545 0.753 0 CA-C-N 114.015 -1.448 . . . . 0.0 109.992 178.713 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 . . . . . 0 CA--C 1.535 0.387 0 CA-C-O 121.952 0.882 . . . . 0.0 109.87 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -94.53 -22.14 18.42 Favored 'General case' 0 C--N 1.347 0.472 0 CA-C-N 113.053 -1.885 . . . . 0.0 111.1 -177.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -40.03 -32.13 0.15 Allowed 'General case' 0 C--N 1.36 1.032 0 O-C-N 125.922 2.014 . . . . 0.0 114.244 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -57.92 8.52 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-N 113.575 -1.648 . . . . 0.0 111.454 176.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.48 -25.56 63.22 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 113.266 -1.788 . . . . 0.0 110.824 176.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.8 mt -66.85 -10.56 11.97 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.044 0 C-N-CA 118.859 -1.136 . . . . 0.0 111.92 -176.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -105.14 -27.8 11.37 Favored 'General case' 0 C--N 1.36 1.027 0 O-C-N 124.381 1.05 . . . . 0.0 111.552 174.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.24 -24.11 37.58 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 124.8 1.312 . . . . 0.0 111.425 -177.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.478 HD13 ' CD1' ' A' ' 23' ' ' TYR . 24.2 mt -84.7 -30.84 24.45 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 112.518 -2.128 . . . . 0.0 109.203 178.121 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.03 -30.83 44.39 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 111.992 -2.367 . . . . 0.0 110.658 178.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.35 -21.31 59.75 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 113.089 -1.869 . . . . 0.0 111.657 -177.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.419 ' CD1' ' HA ' ' A' ' 9' ' ' LEU . 0.9 OUTLIER -57.73 -21.02 38.65 Favored 'General case' 0 CA--C 1.554 1.11 0 CA-C-N 113.87 -1.514 . . . . 0.0 111.258 169.364 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.47 13.76 5.12 Favored Glycine 0 C--N 1.359 1.838 0 O-C-N 124.801 1.313 . . . . 0.0 112.836 176.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -107.64 159.55 29.92 Favored Pre-proline 0 C--O 1.259 1.597 0 CA-C-N 114.325 -0.938 . . . . 0.0 108.775 -172.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_endo -83.15 146.75 12.74 Favored 'Trans proline' 0 CA--C 1.543 0.928 1 C-N-CA 125.478 4.119 . . . . 0.0 113.199 172.201 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -51.7 -19.17 1.47 Allowed 'General case' 0 C--N 1.36 1.03 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.9 t -74.89 -42.4 57.9 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 124.281 0.988 . . . . 0.0 112.742 -175.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 pp -83.25 -20.24 34.89 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 114.826 -1.079 . . . . 0.0 110.966 177.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 37.0 t -67.46 -51.22 54.31 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 CA-C-N 112.968 -1.924 . . . . 0.0 109.87 -176.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -54.66 -53.85 28.13 Favored 'Isoleucine or valine' 0 C--N 1.35 0.608 0 CA-C-N 112.26 -2.245 . . . . 0.0 110.382 -178.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -72.29 -20.16 61.56 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 112.393 -2.185 . . . . 0.0 110.866 -174.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.72 -50.51 24.24 Favored 'General case' 0 C--O 1.215 -0.717 0 O-C-N 124.395 1.059 . . . . 0.0 110.79 177.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.478 ' CD1' HD13 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -60.18 -52.83 63.65 Favored 'General case' 0 C--N 1.356 0.873 0 O-C-N 124.516 1.135 . . . . 0.0 110.587 -179.163 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -60.22 -39.4 86.5 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 112.299 -2.228 . . . . 0.0 111.556 -177.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.47 -29.66 63.85 Favored 'General case' 0 C--N 1.358 0.966 0 O-C-N 124.286 0.992 . . . . 0.0 111.699 177.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.91 12.44 21.66 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 125.0 1.438 . . . . 0.0 111.794 178.453 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 61.02 74.79 0.44 Allowed 'General case' 0 C--N 1.357 0.929 0 O-C-N 123.956 0.785 . . . . 0.0 110.84 -175.161 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 29.82 42.73 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.075 0 CA-C-N 112.889 -1.96 . . . . 0.0 114.85 175.476 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -109.91 146.0 35.9 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 114.389 -1.278 . . . . 0.0 108.833 -169.033 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.39 -50.58 7.19 Favored 'General case' 0 C--O 1.22 -0.464 0 O-C-N 125.331 1.644 . . . . 0.0 110.976 -176.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.64 -47.46 69.52 Favored 'General case' 0 C--N 1.348 0.515 0 CA-C-N 112.641 -2.072 . . . . 0.0 110.919 -178.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 tp -68.26 -32.98 73.54 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 112.913 -1.949 . . . . 0.0 111.773 -177.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.34 -36.24 71.48 Favored 'General case' 0 C--N 1.356 0.88 0 O-C-N 125.025 1.453 . . . . 0.0 111.958 177.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.47 9.24 2.28 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 124.671 1.232 . . . . 0.0 111.803 173.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -115.89 -27.56 6.96 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 113.935 -1.484 . . . . 0.0 109.824 173.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -85.07 -19.9 31.21 Favored 'General case' 0 C--O 1.219 -0.536 0 C-N-CA 119.378 -0.929 . . . . 0.0 110.405 175.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.23 -41.02 12.46 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 113.96 -1.473 . . . . 0.0 110.185 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.8 mt -109.43 -4.67 16.18 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 125.015 1.447 . . . . 0.0 112.444 -170.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.51 13.44 2.55 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 125.0 1.437 . . . . 0.0 111.07 -178.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -38.35 90.65 0.0 OUTLIER 'General case' 0 C--N 1.367 1.361 0 O-C-N 125.609 1.818 . . . . 0.0 111.9 -176.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -104.76 -34.56 8.07 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 113.834 -1.53 . . . . 0.0 110.787 -170.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 79.24 52.84 0.02 OUTLIER 'General case' 0 C--N 1.354 0.793 0 O-C-N 125.687 1.867 . . . . 0.0 109.458 176.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -58.69 -21.85 55.64 Favored 'General case' 0 C--N 1.357 0.92 0 CA-C-N 113.496 -1.684 . . . . 0.0 112.666 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.91 104.85 0.59 Allowed 'General case' 0 C--N 1.354 0.799 0 CA-C-N 113.512 -1.677 . . . . 0.0 109.822 173.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.553 1.082 0 CA-C-N 112.281 -2.236 . . . . 0.0 111.813 175.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 . . . . . 0 CA--C 1.543 0.71 0 CA-C-O 121.762 0.792 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.3 0.64 11.19 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 113.76 -1.564 . . . . 0.0 112.16 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.73 -23.32 4.4 Favored 'General case' 0 C--N 1.359 0.979 0 O-C-N 124.872 1.358 . . . . 0.0 113.904 179.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.6 -46.33 90.3 Favored 'General case' 0 C--N 1.349 0.586 0 CA-C-N 113.931 -1.486 . . . . 0.0 112.047 176.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.415 ' CB ' ' CZ ' ' A' ' 23' ' ' TYR . . . -73.08 -28.81 62.52 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 112.81 -1.995 . . . . 0.0 109.747 176.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.1 mt -63.01 -13.9 13.01 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.955 0 C-N-CA 118.744 -1.183 . . . . 0.0 112.475 -175.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -103.15 -29.85 11.07 Favored 'General case' 0 C--N 1.357 0.9 0 O-C-N 124.091 0.869 . . . . 0.0 111.312 175.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.32 -22.16 44.92 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 124.617 1.198 . . . . 0.0 111.569 -176.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.472 HD13 ' CD1' ' A' ' 23' ' ' TYR . 22.4 mt -86.97 -32.89 19.84 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 112.69 -2.05 . . . . 0.0 108.52 177.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.26 -30.06 60.35 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 112.859 -1.973 . . . . 0.0 110.274 177.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.07 -21.46 54.39 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 113.316 -1.766 . . . . 0.0 111.606 -175.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.34 -22.66 43.75 Favored 'General case' 0 CA--C 1.553 1.087 0 O-C-N 124.909 1.381 . . . . 0.0 110.994 169.613 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.0 -3.78 6.01 Favored Glycine 0 CA--C 1.542 1.726 0 O-C-N 124.671 1.232 . . . . 0.0 112.906 176.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -92.31 162.77 29.12 Favored Pre-proline 0 C--N 1.35 0.629 0 O-C-N 124.262 0.625 . . . . 0.0 110.307 -174.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -83.03 148.64 13.48 Favored 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 123.84 3.026 . . . . 0.0 112.411 170.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -54.13 -20.26 6.36 Favored 'General case' 0 CA--C 1.552 1.046 0 O-C-N 124.423 1.077 . . . . 0.0 113.015 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.5 t -71.21 -44.88 64.51 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.038 -0.983 . . . . 0.0 112.358 -176.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 pp -80.67 -21.64 41.17 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 119.058 -1.057 . . . . 0.0 111.13 177.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.404 HG11 ' CD1' ' A' ' 9' ' ' LEU . 24.7 t -65.94 -51.7 57.78 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 O-C-N 125.51 1.756 . . . . 0.0 110.297 -177.162 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -49.87 -58.26 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.601 0 O-C-N 126.125 2.141 . . . . 0.0 110.676 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -75.12 -18.01 60.31 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 113.211 -1.813 . . . . 0.0 111.24 -174.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.72 -21.4 34.8 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 123.918 0.761 . . . . 0.0 112.599 178.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.472 ' CD1' HD13 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -84.45 -47.32 10.76 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 124.241 0.963 . . . . 0.0 108.424 176.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -67.23 -38.18 84.8 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-N 112.084 -2.325 . . . . 0.0 111.528 -176.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.14 -26.34 63.9 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 124.487 1.117 . . . . 0.0 111.132 175.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.432 ' HG ' ' HB2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -97.31 10.03 40.67 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 124.808 1.317 . . . . 0.0 112.397 177.139 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 62.27 74.53 0.43 Allowed 'General case' 0 C--N 1.358 0.947 0 O-C-N 123.987 0.805 . . . . 0.0 111.259 -177.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 25.85 41.59 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 126.288 1.835 . . . . 0.0 114.726 179.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.414 ' O ' ' CE1' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -103.03 151.73 22.17 Favored 'General case' 0 C--O 1.216 -0.67 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -170.026 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.55 -56.37 3.38 Favored 'General case' 0 C--O 1.221 -0.417 0 O-C-N 124.999 1.437 . . . . 0.0 110.577 -174.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -64.92 -47.35 78.05 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 113.315 -1.766 . . . . 0.0 111.25 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 tp -64.08 -35.88 82.18 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-N 113.289 -1.778 . . . . 0.0 111.139 -177.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.19 -37.05 80.5 Favored 'General case' 0 C--N 1.353 0.734 0 O-C-N 125.172 1.545 . . . . 0.0 112.714 178.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.52 13.05 0.84 Allowed 'General case' 0 CA--C 1.549 0.905 0 O-C-N 124.769 1.293 . . . . 0.0 111.571 173.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -118.24 -29.89 5.42 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 114.017 -1.447 . . . . 0.0 109.6 172.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.432 ' HB2' ' HG ' ' A' ' 26' ' ' CYS . 11.4 t80 -80.99 -21.91 39.88 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 119.549 -0.86 . . . . 0.0 110.563 175.046 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.67 -37.81 13.5 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.139 -1.391 . . . . 0.0 110.92 -177.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.8 mt -108.71 -10.8 15.14 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 125.067 1.479 . . . . 0.0 111.393 -170.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.49 14.11 4.99 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 124.932 1.395 . . . . 0.0 110.474 -178.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -34.71 125.78 0.52 Allowed 'General case' 0 C--N 1.369 1.438 0 O-C-N 124.939 1.399 . . . . 0.0 111.772 173.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -56.79 170.57 0.4 Allowed 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 112.988 -1.914 . . . . 0.0 110.919 176.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -159.02 -60.59 0.07 Allowed 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 113.436 -1.711 . . . . 0.0 108.263 -177.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 179.12 96.85 0.02 OUTLIER 'General case' 0 C--N 1.353 0.741 0 O-C-N 125.4 1.687 . . . . 0.0 108.253 -176.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.48 120.27 24.8 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 113.897 -1.501 . . . . 0.0 109.222 175.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 . . . . . 0 CA--C 1.547 0.843 0 CA-C-N 113.3 -1.773 . . . . 0.0 109.915 -179.943 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.223 -0.292 0 CA-C-O 121.401 0.619 . . . . 0.0 109.439 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 65.83 10.89 7.22 Favored 'General case' 0 CA--C 1.553 1.064 0 CA-C-N 112.957 -1.929 . . . . 0.0 112.986 173.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 37.2 pttt -57.85 -22.96 50.6 Favored 'General case' 0 C--N 1.359 0.987 0 C-N-CA 126.565 1.946 . . . . 0.0 112.752 -176.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -63.32 -39.38 94.39 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 125.392 1.682 . . . . 0.0 111.873 177.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.69 -25.83 37.93 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 112.633 -2.076 . . . . 0.0 110.293 175.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 44.1 mt -64.68 -12.39 12.68 Favored 'Isoleucine or valine' 0 C--N 1.358 0.974 0 C-N-CA 119.251 -0.98 . . . . 0.0 112.073 -173.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -106.7 -25.6 11.68 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-N 114.665 -1.152 . . . . 0.0 111.059 176.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.43 -21.87 44.97 Favored 'General case' 0 CA--C 1.547 0.827 0 O-C-N 124.458 1.099 . . . . 0.0 111.775 178.459 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.422 HD13 ' CD1' ' A' ' 23' ' ' TYR . 22.0 mt -90.14 -30.23 17.77 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 112.964 -1.925 . . . . 0.0 109.081 -178.388 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.75 -31.35 40.99 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 111.549 -2.569 . . . . 0.0 109.924 176.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.0 -20.24 58.01 Favored 'General case' 0 C--N 1.356 0.889 0 CA-C-N 113.548 -1.66 . . . . 0.0 111.829 -176.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.401 ' CD1' ' HA ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -56.42 -21.56 26.01 Favored 'General case' 0 CA--C 1.555 1.16 0 O-C-N 125.031 1.457 . . . . 0.0 110.962 169.166 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 127.46 -1.1 7.0 Favored Glycine 0 CA--C 1.543 1.837 0 O-C-N 124.603 1.189 . . . . 0.0 112.822 174.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.43 ' HB3' ' CD1' ' A' ' 18' ' ' LEU . 82.3 m-85 -100.66 163.11 18.74 Favored Pre-proline 0 C--O 1.25 1.098 0 CA-C-N 114.47 -0.865 . . . . 0.0 110.5 -170.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -80.77 157.24 21.21 Favored 'Trans proline' 0 C--N 1.357 0.99 0 C-N-CA 124.516 3.478 . . . . 0.0 113.225 175.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.24 -16.16 51.73 Favored 'General case' 0 CA--C 1.552 1.046 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 -176.239 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.34 -40.53 58.22 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 114.011 -1.45 . . . . 0.0 111.86 -170.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.43 ' CD1' ' HB3' ' A' ' 14' ' ' PHE . 1.9 pp -80.04 -25.78 40.02 Favored 'General case' 0 C--N 1.357 0.901 0 O-C-N 124.73 1.268 . . . . 0.0 110.7 175.191 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 41.1 t -62.19 -54.44 34.35 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.619 0 O-C-N 125.259 1.599 . . . . 0.0 110.54 -175.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -51.65 -53.75 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 CA-C-N 112.335 -2.211 . . . . 0.0 111.15 -178.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -79.32 -13.06 59.89 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 112.899 -1.955 . . . . 0.0 112.175 -174.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.96 -15.51 27.89 Favored 'General case' 0 C--N 1.351 0.654 0 O-C-N 124.218 0.949 . . . . 0.0 111.574 177.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.422 ' CD1' HD13 ' A' ' 9' ' ' LEU . 1.1 t80 -90.55 -61.98 1.56 Allowed 'General case' 0 C--N 1.349 0.564 0 O-C-N 124.626 1.204 . . . . 0.0 107.756 177.451 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -56.2 -33.56 65.43 Favored 'General case' 0 CA--C 1.549 0.939 0 O-C-N 126.109 2.131 . . . . 0.0 113.269 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.75 -32.14 59.86 Favored 'General case' 0 C--N 1.359 0.984 0 C-N-CA 119.076 -1.049 . . . . 0.0 111.398 177.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.85 17.79 9.99 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 124.782 1.301 . . . . 0.0 111.82 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 60.93 69.36 0.68 Allowed 'General case' 0 C--N 1.36 1.048 0 CA-C-O 122.145 0.974 . . . . 0.0 110.627 -176.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 26.44 43.06 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.135 0 CA-C-N 112.234 -2.257 . . . . 0.0 114.571 176.369 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -105.09 145.21 30.83 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 -167.083 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.16 -44.0 14.41 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 124.84 1.337 . . . . 0.0 110.454 -173.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -70.41 -48.5 55.81 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 113.04 -1.891 . . . . 0.0 110.885 -179.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.2 tp -69.92 -30.46 67.87 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-N 113.389 -1.732 . . . . 0.0 112.051 -175.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.97 -37.73 64.4 Favored 'General case' 0 C--N 1.356 0.876 0 O-C-N 125.215 1.572 . . . . 0.0 111.388 176.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.32 9.69 1.58 Allowed 'General case' 0 CA--C 1.545 0.771 0 O-C-N 124.573 1.17 . . . . 0.0 111.925 173.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -111.86 -35.75 5.62 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 114.025 -1.443 . . . . 0.0 109.031 169.356 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -82.11 -6.55 59.27 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-O 121.806 0.812 . . . . 0.0 112.36 178.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 mt -99.89 -40.1 7.85 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 113.982 -1.463 . . . . 0.0 109.577 178.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.5 mt -103.49 -14.98 16.0 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 113.284 -1.78 . . . . 0.0 111.955 -168.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -111.23 -9.37 14.32 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 124.638 1.211 . . . . 0.0 111.235 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -91.62 37.84 0.97 Allowed 'General case' 0 C--N 1.36 1.058 0 O-C-N 124.453 1.096 . . . . 0.0 110.79 176.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -97.69 -166.99 1.46 Allowed 'General case' 0 C--N 1.351 0.642 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 177.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -87.84 -93.18 0.1 Allowed 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 113.913 -1.494 . . . . 0.0 109.507 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -94.04 164.33 13.12 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 114.165 -1.379 . . . . 0.0 109.127 -178.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -153.7 60.83 0.74 Allowed 'General case' 0 C--N 1.353 0.74 0 CA-C-N 112.75 -2.023 . . . . 0.0 109.362 -175.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 . . . . . 0 CA--C 1.548 0.866 0 CA-C-N 113.846 -1.524 . . . . 0.0 110.311 176.702 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 . . . . . 0 CA--C 1.539 0.554 0 CA-C-O 122.834 1.302 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.0 mp0 -88.65 -32.32 18.09 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-N 112.022 -2.354 . . . . 0.0 111.369 -174.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -37.48 -31.62 0.04 OUTLIER 'General case' 0 C--N 1.357 0.916 0 O-C-N 125.999 2.062 . . . . 0.0 114.841 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -51.01 -55.52 17.02 Favored 'General case' 0 C--N 1.351 0.638 0 O-C-N 125.191 1.557 . . . . 0.0 112.544 174.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.443 ' CB ' ' CZ ' ' A' ' 23' ' ' TYR . . . -78.78 -25.79 44.39 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 112.924 -1.943 . . . . 0.0 110.216 177.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 14.2 mt -60.32 -15.28 9.94 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 C-N-CA 118.696 -1.201 . . . . 0.0 112.689 -175.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -101.33 -28.98 12.31 Favored 'General case' 0 C--N 1.355 0.844 0 O-C-N 124.071 0.857 . . . . 0.0 111.434 175.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.42 -21.44 55.96 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 124.574 1.171 . . . . 0.0 111.544 -178.203 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.472 HD13 ' CD1' ' A' ' 23' ' ' TYR . 18.0 mt -92.29 -28.12 17.17 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-N 112.958 -1.928 . . . . 0.0 109.174 -178.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.16 -28.18 38.85 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 111.88 -2.418 . . . . 0.0 110.201 175.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.21 -19.04 51.76 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 113.354 -1.748 . . . . 0.0 111.328 -176.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.414 ' CD1' ' HA ' ' A' ' 9' ' ' LEU . 1.0 OUTLIER -56.47 -21.49 26.04 Favored 'General case' 0 C--N 1.356 0.877 0 O-C-N 124.998 1.436 . . . . 0.0 111.432 168.198 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 126.73 -1.51 7.42 Favored Glycine 0 C--N 1.354 1.574 0 O-C-N 125.065 1.478 . . . . 0.0 112.033 177.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -101.02 164.64 15.68 Favored Pre-proline 0 C--O 1.252 1.22 0 CA-C-N 113.862 -1.169 . . . . 0.0 110.074 -167.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -87.93 149.35 7.05 Favored 'Trans proline' 0 CA--C 1.537 0.661 0 C-N-CA 124.87 3.714 . . . . 0.0 112.601 175.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -54.87 -16.23 2.52 Favored 'General case' 0 CA--C 1.556 1.176 0 CA-C-N 114.529 -1.214 . . . . 0.0 113.648 -179.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.64 -46.98 51.32 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 114.965 -1.016 . . . . 0.0 112.117 -175.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.477 ' CD1' ' CD2' ' A' ' 37' ' ' LEU . 2.8 pp -80.31 -22.55 41.41 Favored 'General case' 0 C--N 1.358 0.959 0 O-C-N 124.594 1.184 . . . . 0.0 111.155 177.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 23.6 t -65.34 -51.01 69.8 Favored 'Isoleucine or valine' 0 C--N 1.35 0.611 0 O-C-N 125.634 1.834 . . . . 0.0 110.23 -177.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -51.83 -55.63 8.66 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 CA-C-N 112.731 -2.031 . . . . 0.0 110.242 -178.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -76.31 -16.52 59.75 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 112.842 -1.981 . . . . 0.0 111.6 -173.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.61 -25.97 30.37 Favored 'General case' 0 C--O 1.217 -0.63 0 O-C-N 124.438 1.086 . . . . 0.0 112.295 177.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.472 ' CD1' HD13 ' A' ' 9' ' ' LEU . 0.8 OUTLIER -81.2 -48.49 12.01 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 124.286 0.991 . . . . 0.0 108.45 178.004 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -64.3 -38.29 90.52 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 111.391 -2.64 . . . . 0.0 111.164 -176.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.5 -29.57 64.95 Favored 'General case' 0 C--N 1.358 0.963 0 O-C-N 124.141 0.901 . . . . 0.0 111.427 176.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.453 ' SG ' ' HB2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -92.51 13.22 20.36 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 124.78 1.3 . . . . 0.0 112.229 178.015 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 60.94 72.01 0.54 Allowed 'General case' 0 C--N 1.357 0.913 0 CA-C-O 122.035 0.921 . . . . 0.0 110.394 -177.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 32.79 41.44 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 112.678 -2.056 . . . . 0.0 115.312 174.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -108.71 147.34 32.1 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-N 114.259 -1.337 . . . . 0.0 109.058 -168.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.93 -50.75 6.23 Favored 'General case' 0 C--O 1.219 -0.521 0 O-C-N 125.295 1.622 . . . . 0.0 110.923 -172.327 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -70.64 -45.05 65.9 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 112.578 -2.101 . . . . 0.0 110.666 178.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 tp -64.26 -36.99 85.9 Favored 'General case' 0 C--N 1.356 0.851 0 O-C-N 125.325 1.64 . . . . 0.0 110.891 -177.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.86 -40.29 75.84 Favored 'General case' 0 C--N 1.357 0.913 0 O-C-N 125.461 1.726 . . . . 0.0 112.426 179.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.34 9.22 1.37 Allowed 'General case' 0 CA--C 1.55 0.955 0 O-C-N 124.522 1.139 . . . . 0.0 112.043 174.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -116.45 -28.14 6.56 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 113.837 -1.529 . . . . 0.0 109.05 172.216 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.453 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 23.6 t80 -85.91 -11.75 52.4 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-O 122.533 1.158 . . . . 0.0 110.695 177.252 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.477 ' CD2' ' CD1' ' A' ' 18' ' ' LEU . 2.3 mt -96.54 -44.79 7.01 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 113.5 -1.682 . . . . 0.0 108.64 -179.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.2 mt -102.69 -6.24 22.91 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-N 113.526 -1.67 . . . . 0.0 113.574 -170.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.67 -8.69 7.91 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 124.752 1.283 . . . . 0.0 111.004 178.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -116.29 78.54 1.2 Allowed 'General case' 0 C--N 1.357 0.915 0 O-C-N 124.717 1.261 . . . . 0.0 108.717 178.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -156.1 -150.34 0.29 Allowed 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 112.939 -1.937 . . . . 0.0 107.134 175.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -155.17 -66.99 0.13 Allowed 'General case' 0 C--N 1.349 0.555 0 O-C-N 124.457 1.098 . . . . 0.0 109.163 -176.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -53.8 -45.66 70.81 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 113.932 -1.485 . . . . 0.0 111.548 -173.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -156.86 132.18 9.19 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 112.756 -2.02 . . . . 0.0 108.065 177.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 . . . . . 0 CA--C 1.547 0.865 0 O-C-N 124.956 1.41 . . . . 0.0 110.946 176.34 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 . . . . . 0 CA--C 1.509 -0.612 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -173.55 -30.0 0.01 OUTLIER 'General case' 0 C--N 1.351 0.669 0 O-C-N 125.524 1.765 . . . . 0.0 112.762 174.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.7 pttt -36.66 -32.53 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 127.333 2.253 . . . . 0.0 115.134 179.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -48.55 -61.4 2.04 Favored 'General case' 0 C--N 1.345 0.39 0 O-C-N 125.22 1.575 . . . . 0.0 111.994 173.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.429 ' CB ' ' CZ ' ' A' ' 23' ' ' TYR . . . -71.58 -24.88 61.99 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-N 114.028 -1.442 . . . . 0.0 110.974 178.418 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.6 mt -65.51 -11.25 11.8 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 C-N-CA 118.711 -1.196 . . . . 0.0 111.846 -177.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.63 -25.72 12.14 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 124.153 0.908 . . . . 0.0 111.024 176.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.29 -24.04 30.06 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 124.58 1.175 . . . . 0.0 111.236 -177.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.456 HD13 ' CD1' ' A' ' 23' ' ' TYR . 16.7 mt -86.97 -33.22 19.71 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 112.604 -2.089 . . . . 0.0 108.274 177.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -35.11 67.03 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 112.921 -1.945 . . . . 0.0 110.117 175.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.79 -20.77 56.05 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-N 114.024 -1.443 . . . . 0.0 111.652 -173.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.0 mt -56.86 -23.13 42.05 Favored 'General case' 0 CA--C 1.555 1.137 0 O-C-N 125.235 1.584 . . . . 0.0 110.924 169.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.55 -5.98 5.89 Favored Glycine 0 CA--C 1.539 1.57 0 O-C-N 124.734 1.271 . . . . 0.0 112.794 176.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -91.93 162.6 30.37 Favored Pre-proline 0 C--O 1.237 0.44 0 O-C-N 124.514 0.773 . . . . 0.0 110.306 -174.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -83.51 147.62 12.53 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 124.275 3.317 . . . . 0.0 112.71 171.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -54.56 -19.51 6.07 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 124.3 1.0 . . . . 0.0 113.177 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.9 t -70.15 -44.59 68.52 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.984 -176.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 pp -81.67 -22.24 37.63 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 124.375 1.047 . . . . 0.0 111.608 177.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.5 t -66.45 -52.83 42.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 O-C-N 125.521 1.763 . . . . 0.0 109.642 -175.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -51.63 -53.12 17.93 Favored 'Isoleucine or valine' 0 C--N 1.348 0.526 0 O-C-N 125.775 1.922 . . . . 0.0 111.704 -178.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -77.36 -23.15 50.86 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 112.434 -2.166 . . . . 0.0 110.429 -174.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.17 -28.31 57.29 Favored 'General case' 0 C--N 1.35 0.623 0 O-C-N 124.834 1.334 . . . . 0.0 111.451 177.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.456 ' CD1' HD13 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -78.88 -56.08 4.66 Favored 'General case' 0 C--N 1.346 0.421 0 O-C-N 124.6 1.188 . . . . 0.0 108.971 -179.26 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -60.6 -34.42 74.19 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 112.229 -2.26 . . . . 0.0 111.555 -178.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.73 -36.62 78.63 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 124.057 0.848 . . . . 0.0 110.905 174.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.585 ' SG ' HD22 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -84.26 4.05 32.64 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.781 1.301 . . . . 0.0 112.222 176.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 58.11 63.85 1.65 Allowed 'General case' 0 C--N 1.359 0.981 0 O-C-N 124.332 1.02 . . . . 0.0 111.094 -174.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.453 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 27.14 45.63 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 112.068 -2.333 . . . . 0.0 114.614 173.523 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -87.18 -17.48 32.57 Favored 'General case' 0 C--N 1.347 0.473 0 CA-C-N 112.474 -2.148 . . . . 0.0 110.919 -165.199 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . 0.273 0.9 OUTLIER 85.66 -70.3 0.03 OUTLIER 'General case' 0 C--N 1.349 0.549 0 O-C-N 125.668 1.855 . . . . 0.0 111.1 173.205 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -64.46 -45.0 89.31 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 112.83 -1.986 . . . . 0.0 110.843 176.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.585 HD22 ' SG ' ' A' ' 26' ' ' CYS . 0.2 OUTLIER -67.65 -31.13 70.91 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 124.695 1.247 . . . . 0.0 110.728 -179.269 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.97 -39.19 83.39 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-N 114.034 -1.439 . . . . 0.0 111.924 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.25 8.77 1.96 Allowed 'General case' 0 CA--C 1.548 0.903 0 O-C-N 124.842 1.338 . . . . 0.0 112.321 173.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -115.82 -24.87 7.99 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 114.472 -1.24 . . . . 0.0 109.589 173.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -87.92 -16.61 33.38 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 119.653 -0.819 . . . . 0.0 110.891 176.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -93.31 -38.49 11.47 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 113.112 -1.858 . . . . 0.0 109.913 178.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.8 mt -112.96 -5.93 13.78 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 124.776 1.297 . . . . 0.0 111.504 -170.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.74 17.1 2.33 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 124.736 1.272 . . . . 0.0 110.335 -177.19 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.21 127.02 1.74 Allowed 'General case' 0 C--N 1.36 1.03 0 O-C-N 125.414 1.696 . . . . 0.0 111.501 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -109.26 -175.99 2.91 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-N 113.885 -1.507 . . . . 0.0 108.324 -177.134 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -103.33 -161.07 0.81 Allowed 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 113.119 -1.855 . . . . 0.0 107.001 -176.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -165.57 99.27 0.69 Allowed 'General case' 0 C--N 1.352 0.687 0 CA-C-N 114.527 -1.215 . . . . 0.0 108.474 176.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -115.8 125.47 52.75 Favored 'General case' 0 C--N 1.348 0.528 0 CA-C-N 113.754 -1.567 . . . . 0.0 107.729 -178.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 . . . . . 0 CA--C 1.549 0.937 0 O-C-N 124.63 1.206 . . . . 0.0 110.742 -179.965 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 . . . . . 0 C--O 1.224 -0.244 0 CA-C-O 121.704 0.764 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -95.97 -1.52 48.88 Favored 'General case' 0 C--O 1.216 -0.68 0 CA-C-N 113.348 -1.751 . . . . 0.0 112.877 -178.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.89 -23.15 6.5 Favored 'General case' 0 C--N 1.361 1.081 0 O-C-N 125.374 1.671 . . . . 0.0 113.495 178.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -59.58 -49.58 77.23 Favored 'General case' 0 C--N 1.36 1.031 0 CA-C-N 112.985 -1.916 . . . . 0.0 110.098 -178.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.79 -31.55 46.06 Favored 'General case' 0 C--O 1.205 -1.282 0 CA-C-N 112.031 -2.35 . . . . 0.0 111.124 176.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.6 mm -56.77 -44.81 82.46 Favored 'Isoleucine or valine' 0 C--N 1.363 1.166 0 C-N-CA 119.308 -0.957 . . . . 0.0 110.696 -171.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -76.44 -25.81 54.79 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 114.129 -1.396 . . . . 0.0 112.684 178.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -79.32 -18.84 51.76 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 124.655 1.222 . . . . 0.0 111.622 -178.023 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.42 ' CD1' ' CD1' ' A' ' 23' ' ' TYR . 10.9 mt -91.67 -28.92 17.16 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 125.43 1.706 . . . . 0.0 108.908 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.08 -30.89 44.16 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 111.422 -2.626 . . . . 0.0 110.632 175.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.56 -23.08 56.54 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 113.317 -1.765 . . . . 0.0 111.704 -176.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.407 ' CD1' ' HA ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -55.59 -22.37 21.85 Favored 'General case' 0 CA--C 1.553 1.092 0 O-C-N 125.213 1.571 . . . . 0.0 111.012 169.475 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 125.28 1.95 7.75 Favored Glycine 0 C--N 1.36 1.868 0 O-C-N 124.705 1.253 . . . . 0.0 113.021 175.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -99.83 163.04 19.19 Favored Pre-proline 0 C--O 1.216 -0.697 0 CA-C-N 114.028 -1.086 . . . . 0.0 109.738 -173.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -82.4 143.71 12.51 Favored 'Trans proline' 0 C--N 1.372 1.787 0 C-N-CA 122.748 2.298 . . . . 0.0 112.549 173.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -53.66 -18.06 2.71 Favored 'General case' 0 C--N 1.366 1.319 0 O-C-N 124.144 0.903 . . . . 0.0 113.181 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.65 -42.06 82.82 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 114.248 -1.342 . . . . 0.0 112.322 -177.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.422 HD13 ' CD2' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -78.48 -22.56 47.3 Favored 'General case' 0 C--N 1.356 0.884 0 C-N-CA 118.657 -1.217 . . . . 0.0 110.539 176.341 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.412 ' N ' HD12 ' A' ' 18' ' ' LEU . 21.7 t -66.87 -50.98 60.13 Favored 'Isoleucine or valine' 0 C--N 1.354 0.763 0 O-C-N 125.848 1.968 . . . . 0.0 108.994 -169.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -50.55 -56.08 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 CA-C-N 111.58 -2.554 . . . . 0.0 110.165 179.579 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -84.01 -1.42 54.7 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 114.16 -1.382 . . . . 0.0 112.815 -174.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.52 -15.2 17.94 Favored 'General case' 0 C--N 1.362 1.111 0 O-C-N 124.526 1.141 . . . . 0.0 112.199 175.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.42 ' CD1' ' CD1' ' A' ' 9' ' ' LEU . 1.0 OUTLIER -94.04 -49.39 5.8 Favored 'General case' 0 C--O 1.215 -0.753 0 O-C-N 124.885 1.365 . . . . 0.0 108.306 175.899 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -67.22 -37.02 82.89 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 111.664 -2.516 . . . . 0.0 111.076 -175.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.12 -29.17 63.81 Favored 'General case' 0 C--N 1.357 0.907 0 O-C-N 124.372 1.045 . . . . 0.0 111.489 175.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.443 ' HG ' ' HB2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -90.78 11.6 21.88 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 124.86 1.35 . . . . 0.0 112.244 178.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 62.23 75.1 0.42 Allowed 'General case' 0 C--N 1.358 0.94 0 O-C-N 124.242 0.964 . . . . 0.0 110.453 -176.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp 23.78 51.81 0.02 OUTLIER 'General case' 0 CA--C 1.56 1.363 0 CA-C-N 112.836 -1.983 . . . . 0.0 115.094 178.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -113.29 139.75 48.57 Favored 'General case' 0 C--O 1.201 -1.459 0 CA-C-N 114.099 -1.41 . . . . 0.0 108.489 -169.111 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -79.04 -51.1 10.04 Favored 'General case' 0 C--N 1.359 0.979 0 O-C-N 125.591 1.807 . . . . 0.0 111.267 -178.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.13 -46.71 73.3 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 113.429 -1.714 . . . . 0.0 110.555 -176.01 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.3 tp -69.6 -30.98 68.86 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 112.779 -2.01 . . . . 0.0 112.189 -176.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.21 -39.1 71.95 Favored 'General case' 0 C--O 1.21 -0.989 0 O-C-N 125.199 1.562 . . . . 0.0 112.104 176.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.43 8.05 1.98 Allowed 'General case' 0 CA--C 1.546 0.816 0 O-C-N 124.887 1.367 . . . . 0.0 111.824 174.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -116.08 -23.14 8.62 Favored 'General case' 0 C--O 1.209 -1.03 0 CA-C-N 114.234 -1.348 . . . . 0.0 110.394 173.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.443 ' HB2' ' HG ' ' A' ' 26' ' ' CYS . 23.3 t80 -88.67 -16.36 32.55 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 119.395 -0.922 . . . . 0.0 111.332 175.098 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.422 ' CD2' HD13 ' A' ' 18' ' ' LEU . 0.6 OUTLIER -95.33 -36.63 11.32 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 112.833 -1.985 . . . . 0.0 110.585 -179.63 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.3 mt -113.33 -6.38 13.55 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 125.028 1.455 . . . . 0.0 111.586 -172.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.61 30.03 1.11 Allowed 'General case' 0 C--O 1.215 -0.762 0 CA-C-N 114.033 -1.44 . . . . 0.0 109.126 -177.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -41.78 -41.1 2.24 Favored 'General case' 0 C--N 1.368 1.376 0 O-C-N 125.415 1.697 . . . . 0.0 111.895 176.001 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -112.45 -154.0 0.53 Allowed 'General case' 0 C--N 1.358 0.944 0 CA-C-N 112.272 -2.24 . . . . 0.0 107.511 -178.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -118.35 -79.27 0.59 Allowed 'General case' 0 C--N 1.361 1.067 0 O-C-N 125.002 1.439 . . . . 0.0 109.324 -178.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -160.11 14.98 0.13 Allowed 'General case' 0 C--N 1.352 0.717 0 CA-C-N 114.301 -1.318 . . . . 0.0 111.432 -175.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 63.69 106.9 0.03 OUTLIER 'General case' 0 C--N 1.357 0.922 0 O-C-N 125.114 1.509 . . . . 0.0 110.088 176.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 mp0 . . . . . 0 CA--C 1.556 1.18 0 C-N-CA 119.612 -0.835 . . . . 0.0 110.403 -179.709 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 . . . . . 0 CA--C 1.535 0.385 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.82 -27.25 18.1 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 113.138 -1.847 . . . . 0.0 111.86 -179.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -19.83 56.93 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 125.653 1.846 . . . . 0.0 113.123 178.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.31 -26.23 68.67 Favored 'General case' 0 C--N 1.351 0.645 0 O-C-N 124.936 1.398 . . . . 0.0 112.211 178.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -97.12 -28.59 14.05 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 112.561 -2.108 . . . . 0.0 109.998 176.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.2 mm -64.08 -12.67 12.26 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.195 0 C-N-CA 118.429 -1.308 . . . . 0.0 111.773 -174.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -106.03 -28.88 10.27 Favored 'General case' 0 C--N 1.356 0.88 0 O-C-N 124.362 1.039 . . . . 0.0 111.568 176.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -79.95 -22.03 43.11 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 124.754 1.284 . . . . 0.0 111.165 -178.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.458 HD13 ' CD1' ' A' ' 23' ' ' TYR . 25.9 mt -88.05 -32.42 18.77 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-N 113.02 -1.9 . . . . 0.0 108.034 179.106 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.93 -31.83 59.3 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 112.565 -2.107 . . . . 0.0 110.48 177.412 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.37 -20.89 56.73 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 113.298 -1.774 . . . . 0.0 111.717 -175.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.25 -22.85 44.24 Favored 'General case' 0 CA--C 1.554 1.124 0 O-C-N 124.89 1.369 . . . . 0.0 110.968 169.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.7 -3.29 5.72 Favored Glycine 0 CA--C 1.543 1.791 0 O-C-N 124.776 1.297 . . . . 0.0 112.877 176.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -93.45 163.44 24.65 Favored Pre-proline 0 C--O 1.254 1.322 0 O-C-N 124.186 0.58 . . . . 0.0 111.07 -174.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -83.56 149.04 12.82 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 124.619 3.546 . . . . 0.0 112.394 170.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -55.7 -17.53 6.08 Favored 'General case' 0 CA--C 1.552 1.045 0 O-C-N 124.507 1.129 . . . . 0.0 113.062 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.49 -45.18 63.18 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 114.617 -1.174 . . . . 0.0 112.122 -175.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 pp -82.25 -19.79 38.89 Favored 'General case' 0 C--N 1.356 0.89 0 O-C-N 124.545 1.153 . . . . 0.0 111.126 178.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.5 t -68.69 -48.4 71.68 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 O-C-N 125.382 1.676 . . . . 0.0 110.015 -177.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -52.03 -53.96 15.86 Favored 'Isoleucine or valine' 0 C--N 1.352 0.717 0 O-C-N 125.682 1.864 . . . . 0.0 111.318 -178.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -78.61 -20.06 51.28 Favored 'General case' 0 C--N 1.347 0.479 0 CA-C-N 112.435 -2.166 . . . . 0.0 110.44 -175.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.69 -24.9 44.76 Favored 'General case' 0 C--N 1.351 0.645 0 O-C-N 124.021 0.826 . . . . 0.0 112.171 177.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.458 ' CD1' HD13 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -83.59 -50.31 8.36 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 124.758 1.286 . . . . 0.0 108.333 178.783 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -66.4 -34.05 77.09 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 112.003 -2.362 . . . . 0.0 112.159 -175.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.72 -28.88 62.93 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 124.272 0.982 . . . . 0.0 111.128 174.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -91.41 5.11 50.65 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 124.785 1.303 . . . . 0.0 112.79 177.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 62.91 72.8 0.48 Allowed 'General case' 0 C--N 1.358 0.953 0 O-C-N 124.239 0.962 . . . . 0.0 110.102 -174.12 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.425 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.2 OUTLIER 31.58 39.08 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.268 0 CA-C-N 112.8 -2.0 . . . . 0.0 114.604 176.245 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -98.84 143.95 28.59 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-N 114.643 -1.162 . . . . 0.0 108.27 -169.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -76.55 -63.65 1.29 Allowed 'General case' 0 C--O 1.22 -0.466 0 O-C-N 124.609 1.193 . . . . 0.0 111.166 -178.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -62.95 -45.05 94.27 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-N 113.636 -1.62 . . . . 0.0 111.322 -175.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.8 tp -64.99 -33.05 75.13 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-N 113.372 -1.74 . . . . 0.0 111.695 -178.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.16 -36.22 71.94 Favored 'General case' 0 C--N 1.354 0.794 0 O-C-N 125.128 1.517 . . . . 0.0 111.845 176.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.25 13.32 0.94 Allowed 'General case' 0 CA--C 1.548 0.872 0 O-C-N 124.644 1.215 . . . . 0.0 111.618 173.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.86 -30.09 5.49 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-N 114.043 -1.435 . . . . 0.0 109.447 172.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -81.93 -22.71 36.6 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 121.921 0.867 . . . . 0.0 110.95 176.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.02 -39.47 14.63 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 113.445 -1.707 . . . . 0.0 110.516 -177.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 mt -105.32 -10.48 16.99 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 125.436 1.71 . . . . 0.0 111.313 -170.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -123.6 -37.0 2.69 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 124.467 1.104 . . . . 0.0 109.817 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 40.18 -91.88 0.01 OUTLIER 'General case' 0 C--N 1.367 1.337 0 O-C-N 126.034 2.084 . . . . 0.0 111.214 -179.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -161.21 -46.12 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 112.333 -2.212 . . . . 0.0 108.997 177.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -128.39 85.23 2.31 Favored 'General case' 0 C--N 1.357 0.901 0 O-C-N 124.724 1.265 . . . . 0.0 109.91 -177.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 167.53 165.98 0.03 OUTLIER 'General case' 0 C--N 1.356 0.86 0 O-C-N 125.527 1.767 . . . . 0.0 109.254 175.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.08 -53.91 4.36 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 112.591 -2.095 . . . . 0.0 111.138 177.613 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 . . . . . 0 CA--C 1.547 0.863 0 O-C-N 125.212 1.57 . . . . 0.0 109.217 -179.128 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 . . . . . 0 CA--C 1.536 0.417 0 CA-C-O 121.887 0.851 . . . . 0.0 109.982 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -80.99 -17.84 48.99 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 113.151 -1.84 . . . . 0.0 114.342 -178.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.8 ptmm? -32.99 -32.6 0.01 OUTLIER 'General case' 0 C--N 1.354 0.8 0 C-N-CA 126.861 2.064 . . . . 0.0 115.086 177.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.03 -56.51 20.77 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 125.137 1.523 . . . . 0.0 112.405 177.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.0 -24.27 61.55 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 113.509 -1.678 . . . . 0.0 110.712 175.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.6 mt -63.95 -12.74 12.2 Favored 'Isoleucine or valine' 0 C--N 1.359 0.993 0 C-N-CA 119.13 -1.028 . . . . 0.0 111.959 -175.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -102.61 -26.77 13.09 Favored 'General case' 0 C--N 1.356 0.888 0 O-C-N 124.057 0.848 . . . . 0.0 111.478 175.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.14 -24.88 40.13 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 114.674 -1.148 . . . . 0.0 111.413 -177.037 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.464 ' CD1' ' CD1' ' A' ' 23' ' ' TYR . 24.5 mt -86.9 -29.12 22.37 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 112.362 -2.199 . . . . 0.0 109.778 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.56 -31.17 36.94 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 111.657 -2.519 . . . . 0.0 110.476 177.162 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.77 -20.69 59.7 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 113.425 -1.716 . . . . 0.0 111.613 -177.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.415 ' CD1' ' HA ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -58.17 -20.99 45.25 Favored 'General case' 0 CA--C 1.556 1.205 0 O-C-N 125.143 1.527 . . . . 0.0 110.923 169.246 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 124.9 3.92 7.44 Favored Glycine 0 C--N 1.358 1.794 0 O-C-N 124.598 1.186 . . . . 0.0 113.121 174.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -101.05 162.33 20.92 Favored Pre-proline 0 C--O 1.256 1.412 0 CA-C-N 114.558 -0.821 . . . . 0.0 110.542 -172.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -80.75 140.91 13.26 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 124.666 3.577 . . . . 0.0 112.392 172.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -50.45 -21.34 1.43 Allowed 'General case' 0 CA--C 1.552 1.041 0 O-C-N 124.51 1.131 . . . . 0.0 113.104 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.77 -43.53 72.0 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 114.714 -1.13 . . . . 0.0 111.87 -174.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.425 ' CD1' ' CD2' ' A' ' 37' ' ' LEU . 1.2 pp -79.4 -22.33 44.46 Favored 'General case' 0 C--N 1.36 1.06 0 O-C-N 124.694 1.246 . . . . 0.0 111.085 175.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.403 HG11 ' CD1' ' A' ' 9' ' ' LEU . 16.1 t -64.2 -52.54 54.64 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.604 0 O-C-N 125.362 1.664 . . . . 0.0 109.758 -174.632 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -49.77 -56.84 2.65 Favored 'Isoleucine or valine' 0 C--N 1.35 0.613 0 CA-C-N 112.093 -2.321 . . . . 0.0 111.336 179.633 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -76.78 -20.29 56.62 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 112.817 -1.992 . . . . 0.0 111.132 -173.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.4 -19.55 38.89 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 124.617 1.198 . . . . 0.0 111.901 178.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.464 ' CD1' ' CD1' ' A' ' 9' ' ' LEU . 0.9 OUTLIER -84.83 -57.15 3.23 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 124.521 1.138 . . . . 0.0 108.46 178.806 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -61.13 -33.33 73.21 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 111.422 -2.627 . . . . 0.0 111.896 -178.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.15 -36.43 77.41 Favored 'General case' 0 C--N 1.359 1.016 0 O-C-N 123.983 0.802 . . . . 0.0 110.939 174.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.34 3.88 37.74 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 114.03 -1.441 . . . . 0.0 112.266 177.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 59.17 62.32 1.86 Allowed 'General case' 0 C--N 1.361 1.106 0 O-C-N 124.247 0.967 . . . . 0.0 111.49 -175.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.412 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 4.5 mptt 27.65 46.31 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.076 0 CA-C-N 112.342 -2.208 . . . . 0.0 114.602 176.173 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -85.94 -17.3 35.83 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 113.183 -1.826 . . . . 0.0 112.13 -165.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . 0.281 1.0 OUTLIER 85.59 -67.77 0.03 OUTLIER 'General case' 0 C--N 1.35 0.62 0 O-C-N 125.641 1.838 . . . . 0.0 111.289 173.458 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -65.18 -45.84 83.22 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 112.903 -1.953 . . . . 0.0 111.105 175.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.9 tp -67.8 -29.43 68.6 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 125.044 1.465 . . . . 0.0 111.867 -178.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.15 -37.75 69.34 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 112.913 -1.949 . . . . 0.0 112.038 177.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.71 12.91 0.91 Allowed 'General case' 0 CA--C 1.547 0.847 0 O-C-N 124.555 1.159 . . . . 0.0 111.755 173.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -119.52 -25.87 5.9 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 113.911 -1.495 . . . . 0.0 109.288 172.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -88.98 -15.49 34.07 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-O 122.144 0.973 . . . . 0.0 111.301 178.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.425 ' CD2' ' CD1' ' A' ' 18' ' ' LEU . 0.9 OUTLIER -92.11 -39.81 11.39 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 113.118 -1.856 . . . . 0.0 110.105 179.328 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.7 mt -102.36 -15.55 16.52 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 113.673 -1.603 . . . . 0.0 112.112 -172.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.78 -33.36 2.97 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 124.717 1.261 . . . . 0.0 110.199 -177.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 45.91 27.56 0.5 Allowed 'General case' 0 C--N 1.361 1.092 0 O-C-N 125.484 1.74 . . . . 0.0 113.593 -178.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -81.99 -176.73 6.28 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-N 112.541 -2.118 . . . . 0.0 109.523 -171.039 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -91.21 -54.74 3.81 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 113.371 -1.741 . . . . 0.0 109.208 -175.68 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 66.42 -94.72 0.04 OUTLIER 'General case' 0 C--N 1.357 0.923 0 O-C-N 125.878 1.986 . . . . 0.0 109.753 -174.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 46.88 56.16 7.02 Favored 'General case' 0 C--N 1.36 1.036 0 O-C-N 125.166 1.541 . . . . 0.0 112.387 176.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 CA--C 1.552 1.025 0 CA-C-N 112.905 -1.952 . . . . 0.0 111.098 178.488 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 . . . . . 0 CA--C 1.54 0.592 0 CA-C-O 121.197 0.523 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -167.07 20.28 0.03 OUTLIER 'General case' 0 C--N 1.354 0.776 0 CA-C-N 114.404 -1.271 . . . . 0.0 112.053 -175.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.56 -19.15 60.44 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 124.599 1.187 . . . . 0.0 112.273 -171.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -65.0 -29.06 69.95 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 112.679 -2.055 . . . . 0.0 111.492 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.87 -28.9 27.64 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 112.374 -2.194 . . . . 0.0 110.525 176.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.8 mm -62.78 -15.4 15.25 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.026 0 C-N-CA 118.98 -1.088 . . . . 0.0 111.949 -174.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -106.13 -27.21 11.23 Favored 'General case' 0 C--N 1.36 1.035 0 O-C-N 124.878 1.361 . . . . 0.0 111.812 176.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -21.83 42.75 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 124.661 1.225 . . . . 0.0 111.508 -178.225 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.499 HD13 ' CD1' ' A' ' 23' ' ' TYR . 19.7 mt -89.38 -30.92 18.02 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-N 113.221 -1.809 . . . . 0.0 109.44 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.81 -31.76 51.95 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 111.234 -2.712 . . . . 0.0 110.365 176.022 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.11 -22.96 57.89 Favored 'General case' 0 C--N 1.358 0.971 0 CA-C-N 113.501 -1.681 . . . . 0.0 111.817 -176.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.402 ' CD1' ' HA ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -56.38 -21.49 25.12 Favored 'General case' 0 CA--C 1.554 1.13 0 O-C-N 125.225 1.578 . . . . 0.0 111.136 169.331 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 122.43 3.71 9.35 Favored Glycine 0 C--N 1.357 1.724 0 O-C-N 124.752 1.283 . . . . 0.0 112.828 175.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -97.78 162.69 21.48 Favored Pre-proline 0 C--O 1.261 1.686 0 CA-C-N 114.215 -0.993 . . . . 0.0 110.809 -174.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -81.22 140.99 12.61 Favored 'Trans proline' 0 CA--C 1.543 0.948 0 C-N-CA 125.141 3.894 . . . . 0.0 112.287 173.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -51.7 -18.62 1.26 Allowed 'General case' 0 CA--C 1.556 1.185 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -41.99 80.47 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 114.571 -1.195 . . . . 0.0 112.135 -176.081 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.413 HD13 ' CD2' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -76.23 -25.8 55.43 Favored 'General case' 0 C--N 1.358 0.972 0 O-C-N 124.598 1.186 . . . . 0.0 110.727 175.819 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.408 HG11 ' CD1' ' A' ' 9' ' ' LEU . 5.9 t -65.19 -49.91 76.65 Favored 'Isoleucine or valine' 0 C--N 1.35 0.622 0 O-C-N 125.799 1.937 . . . . 0.0 109.13 -168.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -51.3 -54.92 9.55 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 CA-C-N 111.787 -2.461 . . . . 0.0 110.459 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -86.25 2.27 47.75 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 125.29 1.619 . . . . 0.0 112.549 -173.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -107.47 -13.91 14.97 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 124.416 1.072 . . . . 0.0 112.055 176.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.499 ' CD1' HD13 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -96.43 -48.33 5.61 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 124.955 1.409 . . . . 0.0 108.212 173.634 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -66.63 -38.75 87.58 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 126.308 2.255 . . . . 0.0 110.961 -176.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.21 -25.24 61.58 Favored 'General case' 0 C--N 1.359 0.979 0 O-C-N 124.58 1.175 . . . . 0.0 111.301 176.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.458 ' SG ' HD22 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -89.92 1.97 55.61 Favored 'General case' 0 C--N 1.352 0.717 0 O-C-N 125.015 1.447 . . . . 0.0 112.754 176.719 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 67.37 70.49 0.36 Allowed 'General case' 0 C--N 1.36 1.022 0 O-C-N 124.698 1.249 . . . . 0.0 110.907 -175.273 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 36.85 32.68 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.162 0 O-C-N 125.228 1.58 . . . . 0.0 113.526 177.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.435 ' O ' ' CE1' ' A' ' 23' ' ' TYR . 0.7 OUTLIER -92.52 151.07 20.38 Favored 'General case' 0 C--O 1.215 -0.747 0 CA-C-N 114.612 -1.176 . . . . 0.0 108.118 -170.169 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.01 -51.25 4.52 Favored 'General case' 0 C--O 1.22 -0.466 0 O-C-N 125.417 1.698 . . . . 0.0 110.667 -174.011 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -68.53 -48.03 65.38 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 112.563 -2.108 . . . . 0.0 110.585 -178.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.458 HD22 ' SG ' ' A' ' 26' ' ' CYS . 0.5 OUTLIER -66.11 -35.18 79.82 Favored 'General case' 0 C--N 1.355 0.846 0 O-C-N 125.375 1.672 . . . . 0.0 110.507 -178.681 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.55 -40.15 88.9 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-N 114.093 -1.412 . . . . 0.0 112.666 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.61 9.29 1.46 Allowed 'General case' 0 CA--C 1.544 0.742 0 O-C-N 125.121 1.513 . . . . 0.0 111.781 175.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -113.79 -31.31 6.48 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 113.962 -1.472 . . . . 0.0 109.591 172.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.431 ' HB2' ' HG ' ' A' ' 26' ' ' CYS . 18.3 t80 -84.19 -9.0 58.9 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-O 121.985 0.898 . . . . 0.0 111.449 176.424 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.413 ' CD2' HD13 ' A' ' 18' ' ' LEU . 0.6 OUTLIER -102.47 -34.88 8.97 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 113.542 -1.663 . . . . 0.0 110.438 179.428 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.4 mt -112.8 -8.32 13.75 Favored 'General case' 0 C--N 1.354 0.787 0 O-C-N 125.309 1.631 . . . . 0.0 112.489 -169.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 m -122.71 -7.92 8.49 Favored 'General case' 0 C--N 1.356 0.874 0 O-C-N 124.852 1.345 . . . . 0.0 111.48 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.22 -25.0 54.65 Favored 'General case' 0 C--N 1.359 0.988 0 O-C-N 124.569 1.168 . . . . 0.0 111.972 176.217 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -46.44 -83.53 0.01 OUTLIER 'General case' 0 C--N 1.362 1.144 0 O-C-N 124.616 1.198 . . . . 0.0 111.445 -179.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -92.75 145.25 24.55 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 113.263 -1.79 . . . . 0.0 107.607 -179.542 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.94 135.86 57.73 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 112.929 -1.942 . . . . 0.0 109.757 178.416 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -162.85 -57.72 0.04 OUTLIER 'General case' 0 C--N 1.353 0.753 0 CA-C-N 113.165 -1.834 . . . . 0.0 109.094 -179.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 . . . . . 0 CA--C 1.552 1.032 0 CA-C-N 113.058 -1.883 . . . . 0.0 109.796 -175.474 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 . . . . . 0 CA--C 1.54 0.591 0 CA-C-O 122.178 0.989 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -74.75 -31.38 61.78 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 113.599 -1.637 . . . . 0.0 111.54 -176.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.17 -30.25 0.29 Allowed 'General case' 0 C--N 1.36 1.046 0 O-C-N 125.857 1.973 . . . . 0.0 114.574 -178.486 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -50.98 -59.11 4.5 Favored 'General case' 0 C--O 1.218 -0.577 0 CA-C-N 113.489 -1.687 . . . . 0.0 111.198 177.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.14 -25.54 61.76 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 112.494 -2.139 . . . . 0.0 110.918 177.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 11.6 mt -64.37 -8.16 4.51 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.124 0 C-N-CA 118.506 -1.278 . . . . 0.0 111.7 -177.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.12 -24.78 11.83 Favored 'General case' 0 C--N 1.357 0.911 0 O-C-N 123.959 0.787 . . . . 0.0 111.664 173.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.69 -19.8 37.38 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 124.591 1.182 . . . . 0.0 111.892 -178.499 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.456 HD13 ' CD1' ' A' ' 23' ' ' TYR . 15.6 mt -93.29 -28.82 15.99 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 113.021 -1.899 . . . . 0.0 108.627 -179.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.64 -32.32 41.64 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 111.959 -2.382 . . . . 0.0 110.063 176.132 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.91 -18.32 56.25 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 113.251 -1.795 . . . . 0.0 111.941 -177.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.419 ' CD1' ' HA ' ' A' ' 9' ' ' LEU . 1.9 mt -56.66 -21.23 25.96 Favored 'General case' 0 CA--C 1.551 0.988 0 O-C-N 124.854 1.347 . . . . 0.0 110.922 167.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 127.14 -0.59 7.1 Favored Glycine 0 C--N 1.358 1.791 0 O-C-N 125.153 1.533 . . . . 0.0 112.448 175.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.4 m-30 -102.14 162.06 21.48 Favored Pre-proline 0 C--O 1.251 1.132 0 CA-C-N 113.774 -1.213 . . . . 0.0 110.314 -165.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -79.54 149.78 21.48 Favored 'Trans proline' 0 CA--C 1.538 0.68 0 C-N-CA 124.202 3.268 . . . . 0.0 113.426 176.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.11 -19.53 33.06 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 124.606 1.191 . . . . 0.0 113.57 -178.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 t -76.81 -39.3 51.87 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 113.956 -1.474 . . . . 0.0 111.606 -173.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.497 ' CD1' ' CD2' ' A' ' 37' ' ' LEU . 1.1 pp -80.99 -22.01 39.83 Favored 'General case' 0 C--N 1.36 1.061 0 O-C-N 124.653 1.221 . . . . 0.0 111.216 176.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.7 t -66.32 -52.19 50.09 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 O-C-N 125.659 1.849 . . . . 0.0 110.428 -176.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.71 -56.42 8.98 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 CA-C-N 112.323 -2.217 . . . . 0.0 110.676 -178.329 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -73.73 -17.08 61.16 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 113.922 -1.49 . . . . 0.0 111.956 -177.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.46 -29.82 37.48 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 124.274 0.984 . . . . 0.0 112.193 177.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.456 ' CD1' HD13 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -77.88 -48.0 17.42 Favored 'General case' 0 C--N 1.35 0.589 0 C-N-CA 119.029 -1.068 . . . . 0.0 108.933 179.626 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -64.58 -38.22 90.26 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 111.521 -2.581 . . . . 0.0 111.031 -176.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.32 -29.65 65.27 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.373 176.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.492 ' SG ' HD22 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -93.1 16.56 12.61 Favored 'General case' 0 C--N 1.353 0.718 0 O-C-N 124.887 1.367 . . . . 0.0 112.226 177.299 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 58.7 73.38 0.48 Allowed 'General case' 0 C--N 1.357 0.897 0 CA-C-O 122.103 0.954 . . . . 0.0 110.548 -177.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 30.68 42.43 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.1 0 CA-C-N 112.144 -2.298 . . . . 0.0 115.324 174.293 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -111.16 146.95 35.96 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-N 114.725 -1.125 . . . . 0.0 108.697 -167.346 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.61 -49.58 7.43 Favored 'General case' 0 C--O 1.22 -0.467 0 O-C-N 125.217 1.573 . . . . 0.0 110.49 -172.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.47 -45.79 68.18 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 112.409 -2.178 . . . . 0.0 110.998 179.279 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.492 HD22 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -67.84 -36.55 80.54 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 125.391 1.682 . . . . 0.0 109.923 -176.539 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.416 ' C ' ' H ' ' A' ' 35' ' ' ASN . . . -66.01 -39.98 90.71 Favored 'General case' 0 C--N 1.357 0.928 0 O-C-N 124.483 1.114 . . . . 0.0 112.245 178.526 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.81 10.27 0.92 Allowed 'General case' 0 CA--C 1.552 1.049 0 O-C-N 124.669 1.23 . . . . 0.0 112.398 174.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.416 ' H ' ' C ' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -116.58 -29.42 6.13 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 113.982 -1.463 . . . . 0.0 109.95 172.347 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.474 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 29.0 t80 -86.79 -12.31 48.43 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.734 178.038 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.497 ' CD2' ' CD1' ' A' ' 18' ' ' LEU . 1.4 mt -95.11 -47.95 6.16 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 113.247 -1.797 . . . . 0.0 108.966 179.423 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.4 mt -95.08 -16.88 22.32 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 113.439 -1.71 . . . . 0.0 112.551 -172.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.87 16.53 9.38 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 125.043 1.464 . . . . 0.0 110.913 178.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -43.44 145.01 0.64 Allowed 'General case' 0 C--N 1.362 1.126 0 O-C-N 125.227 1.58 . . . . 0.0 111.93 175.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.89 178.49 5.27 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 113.814 -1.539 . . . . 0.0 109.806 178.178 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -165.5 -55.51 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 113.032 -1.894 . . . . 0.0 109.894 -175.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -129.8 99.41 5.11 Favored 'General case' 0 C--N 1.352 0.695 0 O-C-N 124.88 1.363 . . . . 0.0 107.57 -177.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -98.8 -18.55 17.89 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 112.906 -1.952 . . . . 0.0 111.273 176.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 . . . . . 0 C--N 1.357 0.908 0 O-C-N 124.912 1.382 . . . . 0.0 108.104 -177.417 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 . . . . . 0 CA--C 1.541 0.622 0 CA-C-O 121.723 0.773 . . . . 0.0 112.034 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -84.53 -27.19 27.53 Favored 'General case' 0 C--N 1.348 0.534 0 CA-C-N 113.227 -1.806 . . . . 0.0 111.629 -172.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.16 -28.51 0.02 OUTLIER 'General case' 0 C--N 1.362 1.142 0 O-C-N 126.274 2.233 . . . . 0.0 114.337 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -59.67 -56.39 22.44 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 113.408 -1.724 . . . . 0.0 112.159 177.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.83 -20.47 63.43 Favored 'General case' 0 C--N 1.35 0.588 0 C-N-CA 117.939 -1.504 . . . . 0.0 110.825 173.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.2 mt -70.81 -9.77 13.12 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 C-N-CA 118.517 -1.273 . . . . 0.0 111.737 -173.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -98.7 -27.94 13.75 Favored 'General case' 0 C--N 1.357 0.909 0 O-C-N 123.978 0.799 . . . . 0.0 111.398 174.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.56 -41.0 22.24 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 124.841 1.338 . . . . 0.0 110.928 -174.093 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.435 HD13 ' CD1' ' A' ' 23' ' ' TYR . 34.0 mt -60.13 -33.12 71.7 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 111.549 -2.569 . . . . 0.0 110.736 171.002 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.3 -31.67 29.87 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 112.007 -2.36 . . . . 0.0 110.531 177.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.28 -17.7 59.33 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 114.02 -1.446 . . . . 0.0 111.38 -176.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.4 ' CD1' ' HA ' ' A' ' 9' ' ' LEU . 0.6 OUTLIER -60.29 -19.74 56.29 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 113.692 -1.594 . . . . 0.0 111.15 169.762 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 125.42 6.24 6.27 Favored Glycine 0 CA--C 1.542 1.751 0 O-C-N 124.851 1.344 . . . . 0.0 112.543 174.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -104.39 163.43 17.28 Favored Pre-proline 0 C--O 1.249 1.048 0 CA-C-N 114.649 -0.775 . . . . 0.0 108.925 -170.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -87.61 154.96 7.65 Favored 'Trans proline' 0 CA--C 1.545 1.052 1 C-N-CA 125.497 4.132 . . . . 0.0 112.534 171.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -57.96 -11.25 2.26 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.45 -45.5 22.01 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 124.076 0.86 . . . . 0.0 111.941 -173.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 pp -81.66 -23.19 37.05 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-N 114.266 -1.334 . . . . 0.0 110.398 177.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 40.8 t -60.99 -53.42 49.38 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 O-C-N 125.282 1.614 . . . . 0.0 110.554 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -52.44 -55.75 9.6 Favored 'Isoleucine or valine' 0 C--N 1.352 0.712 0 O-C-N 125.862 1.976 . . . . 0.0 110.527 -178.419 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.06 -14.88 59.76 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 113.022 -1.899 . . . . 0.0 111.441 -173.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.97 -25.28 27.87 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 124.353 1.033 . . . . 0.0 112.017 178.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.435 ' CD1' HD13 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -82.52 -50.38 8.89 Favored 'General case' 0 C--N 1.349 0.578 0 O-C-N 124.41 1.069 . . . . 0.0 108.344 178.224 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -63.05 -38.67 92.1 Favored 'General case' 0 CA--C 1.55 0.979 0 CA-C-N 111.923 -2.399 . . . . 0.0 111.371 -177.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.69 -28.74 64.99 Favored 'General case' 0 C--N 1.358 0.97 0 O-C-N 124.104 0.878 . . . . 0.0 111.431 176.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.459 ' SG ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -93.5 9.74 35.35 Favored 'General case' 0 C--N 1.353 0.723 0 O-C-N 124.775 1.297 . . . . 0.0 112.29 178.723 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 63.87 72.28 0.47 Allowed 'General case' 0 C--N 1.361 1.107 0 O-C-N 124.315 1.009 . . . . 0.0 110.183 -176.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 32.46 38.38 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 112.691 -2.05 . . . . 0.0 114.799 176.373 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -100.77 147.23 26.28 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-N 113.96 -1.473 . . . . 0.0 108.552 -168.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.56 -52.02 5.38 Favored 'General case' 0 C--O 1.219 -0.505 0 O-C-N 125.447 1.717 . . . . 0.0 109.738 -173.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -68.12 -45.81 72.62 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 112.963 -1.926 . . . . 0.0 110.961 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.459 HD12 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -68.57 -32.99 73.3 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 125.203 1.564 . . . . 0.0 110.568 -176.521 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.33 -37.7 77.84 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 114.418 -1.265 . . . . 0.0 111.85 177.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.74 10.85 1.22 Allowed 'General case' 0 CA--C 1.549 0.929 0 O-C-N 124.803 1.315 . . . . 0.0 112.058 174.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -118.9 -27.98 5.66 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 114.258 -1.337 . . . . 0.0 109.468 173.276 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -84.0 -17.43 40.51 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 119.504 -0.878 . . . . 0.0 111.019 175.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -92.5 -40.91 10.56 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 113.56 -1.655 . . . . 0.0 110.243 179.288 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.5 mt -107.55 -10.17 15.75 Favored 'General case' 0 C--N 1.352 0.694 0 O-C-N 125.097 1.498 . . . . 0.0 112.31 -170.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.49 7.19 6.33 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 124.905 1.378 . . . . 0.0 110.153 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -40.91 134.4 1.94 Allowed 'General case' 0 C--N 1.363 1.166 0 O-C-N 124.77 1.294 . . . . 0.0 111.027 177.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -60.7 175.03 0.51 Allowed 'General case' 0 CA--C 1.55 0.966 0 O-C-N 124.534 1.146 . . . . 0.0 111.071 -176.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -95.74 106.18 18.26 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-N 114.063 -1.426 . . . . 0.0 109.171 -175.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 p30 169.64 70.84 0.0 OUTLIER 'General case' 0 C--N 1.358 0.969 0 O-C-N 125.654 1.846 . . . . 0.0 110.252 -176.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -151.06 176.59 11.0 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 114.541 -1.208 . . . . 0.0 109.727 176.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.544 0.728 0 CA-C-N 112.415 -2.175 . . . . 0.0 110.709 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.535 0.393 0 CA-C-O 122.166 0.984 . . . . 0.0 110.004 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.04 -28.78 14.47 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-N 113.599 -1.637 . . . . 0.0 111.47 -176.259 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -35.25 -29.15 0.01 OUTLIER 'General case' 0 C--N 1.354 0.784 0 N-CA-C 115.65 1.722 . . . . 0.0 115.65 -178.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -56.8 -60.47 3.51 Favored 'General case' 0 C--N 1.345 0.38 0 O-C-N 124.914 1.384 . . . . 0.0 110.644 178.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.69 -26.88 64.58 Favored 'General case' 0 C--O 1.211 -0.922 0 CA-C-N 113.644 -1.616 . . . . 0.0 110.162 178.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 16.1 mt -58.16 -43.27 85.23 Favored 'Isoleucine or valine' 0 C--N 1.354 0.797 0 C-N-CA 118.927 -1.109 . . . . 0.0 111.293 -176.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -76.01 -25.97 56.22 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 119.129 -1.028 . . . . 0.0 111.676 178.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.7 -21.89 40.84 Favored 'General case' 0 C--N 1.346 0.436 0 CA-C-N 114.388 -1.278 . . . . 0.0 111.442 -176.368 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.4 mt -88.55 -31.53 18.61 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 113.214 -1.812 . . . . 0.0 107.753 178.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -34.67 65.66 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 112.836 -1.984 . . . . 0.0 109.814 176.053 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.04 -22.41 61.39 Favored 'General case' 0 C--N 1.348 0.534 0 CA-C-N 113.931 -1.486 . . . . 0.0 112.029 -174.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.21 -24.44 42.1 Favored 'General case' 0 CA--C 1.554 1.116 0 O-C-N 124.832 1.332 . . . . 0.0 111.361 169.386 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 131.54 -0.91 5.16 Favored Glycine 0 CA--C 1.542 1.735 0 O-C-N 124.744 1.277 . . . . 0.0 113.048 175.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -95.14 164.01 20.36 Favored Pre-proline 0 C--N 1.348 0.514 0 O-C-N 124.127 0.545 . . . . 0.0 110.422 -174.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -82.47 149.51 14.77 Favored 'Trans proline' 0 C--N 1.358 1.071 0 C-N-CA 123.525 2.817 . . . . 0.0 112.472 170.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -57.49 -16.79 10.67 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 124.603 1.19 . . . . 0.0 113.051 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.42 -41.01 49.13 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.832 -175.156 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 pp -82.96 -20.34 35.43 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 124.28 0.988 . . . . 0.0 111.044 176.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.6 t -68.51 -51.51 45.93 Favored 'Isoleucine or valine' 0 C--N 1.346 0.454 0 CA-C-N 113.708 -1.587 . . . . 0.0 109.283 -177.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.74 -54.29 20.52 Favored 'Isoleucine or valine' 0 C--N 1.348 0.537 0 CA-C-N 113.094 -1.867 . . . . 0.0 110.973 -177.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -72.53 -18.04 61.68 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 113.085 -1.871 . . . . 0.0 110.848 -176.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.93 -51.92 14.55 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 117.967 -1.493 . . . . 0.0 111.194 177.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.26 -49.49 76.85 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.803 -178.317 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -62.52 -39.66 94.28 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 112.615 -2.084 . . . . 0.0 110.937 -177.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.79 -30.25 66.67 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.722 175.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.407 ' SG ' HD12 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -90.35 9.71 27.82 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 124.537 1.148 . . . . 0.0 112.105 179.032 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 61.41 77.91 0.31 Allowed 'General case' 0 C--N 1.357 0.902 0 O-C-N 124.384 1.053 . . . . 0.0 109.945 -174.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 27.83 47.11 0.02 OUTLIER 'General case' 0 CA--C 1.56 1.345 0 CA-C-N 112.617 -2.083 . . . . 0.0 114.788 176.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -111.95 144.26 41.59 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-N 114.542 -1.208 . . . . 0.0 108.834 -167.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.93 -51.47 6.69 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 125.574 1.796 . . . . 0.0 110.492 -175.605 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -68.77 -45.56 71.06 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 125.543 1.777 . . . . 0.0 110.717 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.407 HD12 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -68.98 -32.09 71.41 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 124.897 1.373 . . . . 0.0 110.59 -177.037 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.93 -36.95 78.57 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 114.639 -1.164 . . . . 0.0 111.714 176.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.44 12.54 0.96 Allowed 'General case' 0 CA--C 1.549 0.925 0 O-C-N 124.542 1.151 . . . . 0.0 112.2 172.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -118.7 -26.7 6.04 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 114.452 -1.249 . . . . 0.0 109.582 173.32 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -88.75 -15.44 34.71 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.839 175.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.96 -35.77 12.49 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 114.219 -1.355 . . . . 0.0 109.7 178.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 mt -111.14 -7.64 14.46 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 124.86 1.35 . . . . 0.0 111.181 -170.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.45 12.61 3.0 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 124.874 1.359 . . . . 0.0 110.807 -177.356 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.85 100.53 0.02 OUTLIER 'General case' 0 C--N 1.362 1.128 0 O-C-N 125.074 1.484 . . . . 0.0 111.973 -179.181 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -128.69 -169.17 2.03 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-N 113.29 -1.777 . . . . 0.0 108.177 -174.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -151.57 49.42 0.81 Allowed 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 111.971 -2.377 . . . . 0.0 108.93 -171.731 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -151.39 74.83 1.15 Allowed 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 113.176 -1.829 . . . . 0.0 108.389 178.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 39.4 p-10 -159.91 -179.61 7.96 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 112.53 -2.123 . . . . 0.0 109.418 179.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 . . . . . 0 CA--C 1.548 0.882 0 CA-C-N 113.13 -1.85 . . . . 0.0 109.491 -178.987 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 . . . . . 0 CA--C 1.539 0.545 0 CA-C-O 121.885 0.85 . . . . 0.0 111.298 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -105.07 -17.09 14.61 Favored 'General case' 0 C--N 1.347 0.47 0 CA-C-N 113.068 -1.878 . . . . 0.0 111.867 -174.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -17.44 12.48 Favored 'General case' 0 C--N 1.354 0.79 0 O-C-N 125.604 1.815 . . . . 0.0 113.696 178.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.21 -39.39 90.05 Favored 'General case' 0 C--N 1.352 0.707 0 O-C-N 124.851 1.344 . . . . 0.0 110.975 176.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.404 ' CB ' ' CZ ' ' A' ' 23' ' ' TYR . . . -87.89 -27.37 22.23 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 113.073 -1.876 . . . . 0.0 110.714 178.119 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 mm -65.9 -11.54 12.68 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.187 0 C-N-CA 119.021 -1.072 . . . . 0.0 111.477 -173.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -105.51 -27.59 11.32 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 114.623 -1.171 . . . . 0.0 111.255 176.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.95 -21.14 40.64 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 124.617 1.198 . . . . 0.0 111.526 -179.099 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.412 HD13 ' CD1' ' A' ' 23' ' ' TYR . 16.8 mt -89.41 -29.15 19.27 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 113.326 -1.761 . . . . 0.0 108.726 179.194 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.47 -33.84 41.94 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 111.968 -2.378 . . . . 0.0 110.254 177.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.34 -21.17 56.47 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 113.028 -1.897 . . . . 0.0 111.665 -176.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.406 ' CD1' ' HA ' ' A' ' 9' ' ' LEU . 2.5 mt -57.02 -21.89 34.42 Favored 'General case' 0 CA--C 1.555 1.158 0 O-C-N 125.075 1.484 . . . . 0.0 110.908 169.564 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.49 -3.91 6.64 Favored Glycine 0 CA--C 1.544 1.857 0 O-C-N 124.659 1.224 . . . . 0.0 113.124 175.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -95.27 160.99 29.51 Favored Pre-proline 0 C--O 1.215 -0.752 0 CA-C-N 114.383 -0.908 . . . . 0.0 109.536 -172.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -78.24 151.38 26.52 Favored 'Trans proline' 0 C--N 1.369 1.636 0 C-N-CA 123.151 2.567 . . . . 0.0 113.19 173.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.09 -21.54 46.51 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 124.509 1.131 . . . . 0.0 113.429 -178.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -76.2 -38.64 56.25 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 113.312 -1.767 . . . . 0.0 111.575 -172.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.412 ' CD1' ' CD2' ' A' ' 37' ' ' LEU . 1.2 pp -82.28 -21.23 36.27 Favored 'General case' 0 C--N 1.357 0.921 0 O-C-N 124.68 1.237 . . . . 0.0 110.986 176.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 37.9 t -65.73 -52.07 54.54 Favored 'Isoleucine or valine' 0 C--N 1.348 0.535 0 O-C-N 125.622 1.827 . . . . 0.0 110.111 -177.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -51.67 -53.36 17.07 Favored 'Isoleucine or valine' 0 C--N 1.348 0.538 0 O-C-N 125.967 2.042 . . . . 0.0 110.656 -177.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.59 -14.65 58.02 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-N 112.619 -2.082 . . . . 0.0 111.458 -173.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.45 -24.12 29.64 Favored 'General case' 0 C--N 1.351 0.643 0 O-C-N 124.45 1.094 . . . . 0.0 111.703 176.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.412 ' CD1' HD13 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -83.11 -51.51 7.46 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 124.629 1.206 . . . . 0.0 108.487 178.789 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -65.58 -34.44 78.24 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 112.313 -2.221 . . . . 0.0 111.956 -178.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.72 -28.94 65.1 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 124.177 0.923 . . . . 0.0 111.199 173.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -88.95 -1.47 58.12 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 124.714 1.259 . . . . 0.0 112.192 176.042 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 61.57 66.49 0.85 Allowed 'General case' 0 C--N 1.357 0.899 0 O-C-N 124.373 1.045 . . . . 0.0 111.308 -174.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.404 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 31.12 42.46 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 113.3 -1.773 . . . . 0.0 114.015 175.092 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -86.89 -17.96 32.01 Favored 'General case' 0 C--N 1.348 0.515 0 CA-C-N 113.326 -1.761 . . . . 0.0 111.159 -164.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . 0.298 0.5 OUTLIER 84.64 -73.24 0.03 OUTLIER 'General case' 0 C--N 1.346 0.423 0 O-C-N 125.52 1.763 . . . . 0.0 111.075 172.516 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -62.83 -45.02 94.55 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 125.981 2.051 . . . . 0.0 111.241 176.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.2 tp -66.44 -30.33 70.66 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 125.145 1.528 . . . . 0.0 111.328 -178.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.57 -37.78 71.02 Favored 'General case' 0 C--N 1.349 0.58 0 CA-C-N 113.272 -1.785 . . . . 0.0 111.554 179.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.3 11.74 1.44 Allowed 'General case' 0 CA--C 1.548 0.898 0 O-C-N 124.811 1.32 . . . . 0.0 111.713 173.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -118.58 -24.94 6.58 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 114.299 -1.319 . . . . 0.0 109.709 173.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -87.7 -20.67 25.94 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 114.834 -1.076 . . . . 0.0 110.02 174.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.412 ' CD2' ' CD1' ' A' ' 18' ' ' LEU . 0.6 OUTLIER -88.66 -39.49 13.99 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 114.468 -1.242 . . . . 0.0 110.263 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.4 mt -108.4 -6.85 16.02 Favored 'General case' 0 C--N 1.348 0.512 0 O-C-N 125.259 1.6 . . . . 0.0 111.651 -169.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -142.93 15.95 1.93 Allowed 'General case' 0 CA--C 1.54 0.593 0 O-C-N 124.773 1.296 . . . . 0.0 110.785 -177.257 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -33.04 88.81 0.0 OUTLIER 'General case' 0 C--N 1.365 1.251 0 O-C-N 125.822 1.951 . . . . 0.0 111.724 -177.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -83.22 -169.26 2.45 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 112.966 -1.925 . . . . 0.0 107.679 -174.69 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 67.31 157.22 0.12 Allowed 'General case' 0 C--N 1.349 0.574 0 O-C-N 125.021 1.451 . . . . 0.0 109.844 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -120.08 -60.27 1.71 Allowed 'General case' 0 C--N 1.349 0.584 0 CA-C-N 113.467 -1.697 . . . . 0.0 108.784 -178.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -140.42 -69.91 0.39 Allowed 'General case' 0 C--N 1.356 0.856 0 O-C-N 125.047 1.467 . . . . 0.0 109.629 -175.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.544 0.737 0 CA-C-N 113.308 -1.769 . . . . 0.0 110.118 -178.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.437 ' HB1' HD11 ' A' ' 9' ' ' LEU . . . . . . . . 0 C--O 1.213 -0.847 0 CA-C-O 119.299 -0.381 . . . . 0.0 110.557 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.5 mm -63.67 -12.16 10.52 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.113 0 C-N-CA 119.387 -0.925 . . . . 0.0 111.722 -173.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -106.91 -28.36 10.13 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 114.531 -1.213 . . . . 0.0 111.266 177.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.12 -21.48 43.17 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 124.464 1.102 . . . . 0.0 111.67 -179.201 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.818 ' HA ' HD12 ' A' ' 12' ' ' LEU . 22.9 mt -89.16 -31.2 18.08 Favored 'General case' 0 C--N 1.346 0.452 0 CA-C-N 113.273 -1.785 . . . . 0.0 108.873 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.59 -31.88 47.35 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 111.436 -2.62 . . . . 0.0 110.169 176.694 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.94 -21.29 57.19 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 114.214 -1.357 . . . . 0.0 111.819 -176.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.818 HD12 ' HA ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -56.08 -22.85 30.17 Favored 'General case' 0 CA--C 1.555 1.146 0 O-C-N 125.056 1.473 . . . . 0.0 111.053 169.298 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.74 6.46 8.58 Favored Glycine 0 CA--C 1.539 1.575 0 O-C-N 124.699 1.249 . . . . 0.0 112.911 175.05 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.631 ' HB3' HD11 ' A' ' 18' ' ' LEU . 86.9 m-85 -98.03 162.8 20.93 Favored Pre-proline 0 C--N 1.347 0.474 0 O-C-N 124.423 0.719 . . . . 0.0 110.648 -175.173 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -78.57 141.36 17.53 Favored 'Trans proline' 0 C--N 1.359 1.117 0 C-N-CA 123.386 2.724 . . . . 0.0 113.076 173.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.43 -20.13 2.64 Favored 'General case' 0 CA--C 1.551 0.983 0 O-C-N 124.485 1.116 . . . . 0.0 113.809 -178.348 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 t -72.09 -38.63 69.33 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 113.998 -1.456 . . . . 0.0 111.663 -175.101 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.778 HD12 ' N ' ' A' ' 19' ' ' VAL . 0.3 OUTLIER -76.83 -26.06 53.93 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 118.757 -1.177 . . . . 0.0 111.176 173.896 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.778 ' N ' HD12 ' A' ' 18' ' ' LEU . 37.2 t -65.84 -51.57 59.95 Favored 'Isoleucine or valine' 0 C--N 1.353 0.742 0 O-C-N 125.473 1.733 . . . . 0.0 109.197 -168.703 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -50.97 -53.12 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 111.556 -2.566 . . . . 0.0 111.4 178.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -86.83 -3.06 59.02 Favored 'General case' 0 C--O 1.218 -0.569 0 O-C-N 125.656 1.848 . . . . 0.0 112.095 -172.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.21 -18.25 19.37 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 124.558 1.161 . . . . 0.0 110.819 173.305 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.701 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.2 t80 -88.96 -59.07 2.33 Favored 'General case' 0 C--N 1.347 0.475 0 O-C-N 124.329 1.018 . . . . 0.0 108.371 177.59 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -57.88 -34.16 69.48 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 112.702 -2.045 . . . . 0.0 112.506 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.54 -34.02 65.0 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 119.546 -0.861 . . . . 0.0 111.171 177.367 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.612 ' SG ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -88.58 15.07 8.59 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.648 1.218 . . . . 0.0 112.016 179.237 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 61.63 69.04 0.67 Allowed 'General case' 0 C--N 1.358 0.974 0 CA-C-O 121.894 0.854 . . . . 0.0 110.134 -174.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.465 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 26.45 45.66 0.01 OUTLIER 'General case' 0 CA--C 1.565 1.536 0 CA-C-N 113.268 -1.787 . . . . 0.0 114.431 176.357 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -107.44 140.48 40.33 Favored 'General case' 0 C--O 1.212 -0.914 0 CA-C-N 114.075 -1.421 . . . . 0.0 108.527 -167.329 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.8 -58.11 3.96 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 124.834 1.334 . . . . 0.0 111.058 -177.726 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.17 -46.57 80.3 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 113.886 -1.506 . . . . 0.0 111.42 -174.627 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.612 HD23 ' SG ' ' A' ' 26' ' ' CYS . 3.8 tp -67.13 -31.32 71.69 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 113.474 -1.694 . . . . 0.0 111.707 -177.381 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.682 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -72.03 -37.44 69.75 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 124.87 1.356 . . . . 0.0 111.901 176.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.54 9.44 1.76 Allowed 'General case' 0 CA--C 1.548 0.897 0 O-C-N 124.521 1.138 . . . . 0.0 112.022 173.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -113.93 -30.97 6.55 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 114.167 -1.379 . . . . 0.0 109.105 171.753 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -78.69 -21.14 48.64 Favored 'General case' 0 CA--C 1.557 1.245 0 CA-C-O 123.177 1.465 . . . . 0.0 109.966 175.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.688 ' CD1' HD22 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -92.32 -36.56 13.12 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 113.771 -1.559 . . . . 0.0 110.512 -176.726 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.595 HD21 HD22 ' A' ' 12' ' ' LEU . 6.2 mt . . . . . 0 C--N 1.347 0.486 0 O-C-N 125.114 1.509 . . . . 0.0 111.25 -168.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.213 -0.843 0 CA-C-O 119.167 -0.444 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.414 HG22 ' HG2' ' A' ' 16' ' ' GLU . 14.3 mt -69.4 -9.18 11.76 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.024 0 C-N-CA 118.974 -1.091 . . . . 0.0 112.144 -172.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -105.14 -27.15 11.77 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 123.898 0.749 . . . . 0.0 110.955 174.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.04 -23.81 38.31 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 124.705 1.253 . . . . 0.0 111.021 -178.759 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.881 ' HA ' HD12 ' A' ' 12' ' ' LEU . 32.2 mt -84.4 -29.9 25.82 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 112.922 -1.945 . . . . 0.0 109.063 178.573 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.55 -31.23 37.01 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 112.117 -2.31 . . . . 0.0 110.04 178.383 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.64 -20.52 59.86 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 113.75 -1.568 . . . . 0.0 111.591 -176.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.881 HD12 ' HA ' ' A' ' 9' ' ' LEU . 1.5 mt -57.97 -21.41 44.34 Favored 'General case' 0 CA--C 1.556 1.187 0 O-C-N 125.054 1.471 . . . . 0.0 110.875 169.173 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 123.9 12.31 4.51 Favored Glycine 0 CA--C 1.546 2.007 0 O-C-N 124.473 1.108 . . . . 0.0 113.055 175.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.674 ' HB3' HD11 ' A' ' 18' ' ' LEU . 53.7 m-85 -107.9 161.02 24.72 Favored Pre-proline 0 CA--C 1.544 0.735 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 -172.055 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.592 ' O ' HG23 ' A' ' 19' ' ' VAL . 96.9 Cg_endo -84.64 148.76 11.21 Favored 'Trans proline' 0 CA--C 1.547 1.169 0 C-N-CA 124.932 3.754 . . . . 0.0 113.3 170.788 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.414 ' HG2' HG22 ' A' ' 6' ' ' ILE . 31.2 mt-10 -52.67 -17.85 1.51 Allowed 'General case' 0 C--N 1.361 1.093 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.82 -44.18 50.68 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 124.284 0.99 . . . . 0.0 112.103 -174.261 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.674 HD11 ' HB3' ' A' ' 14' ' ' PHE . 1.9 pp -83.5 -20.12 34.52 Favored 'General case' 0 C--N 1.355 0.814 0 O-C-N 124.417 1.073 . . . . 0.0 111.14 177.479 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 15' ' ' PRO . 21.1 t -66.79 -49.56 73.24 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 O-C-N 125.382 1.676 . . . . 0.0 110.014 -178.186 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -56.18 -54.04 32.24 Favored 'Isoleucine or valine' 0 C--N 1.351 0.641 0 CA-C-N 113.01 -1.905 . . . . 0.0 110.75 -177.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -71.95 -23.08 61.39 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 112.785 -2.007 . . . . 0.0 110.655 -177.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.68 -48.42 59.77 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 118.627 -1.229 . . . . 0.0 110.787 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.79 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -62.52 -50.91 69.5 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 124.502 1.126 . . . . 0.0 110.212 -178.392 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -62.53 -37.82 87.58 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 112.366 -2.197 . . . . 0.0 112.126 -177.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.77 -29.87 63.66 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 124.392 1.058 . . . . 0.0 110.977 176.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.565 ' SG ' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -91.57 8.89 34.47 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 124.935 1.397 . . . . 0.0 112.04 177.919 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 62.37 74.32 0.44 Allowed 'General case' 0 C--N 1.359 1.02 0 O-C-N 123.823 0.702 . . . . 0.0 111.067 -175.017 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.447 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 27.21 42.0 0.0 OUTLIER 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 126.119 1.768 . . . . 0.0 114.291 -179.842 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.462 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -102.13 149.23 24.49 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 114.836 -1.075 . . . . 0.0 108.188 -170.62 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.43 -54.6 4.1 Favored 'General case' 0 C--N 1.345 0.398 0 O-C-N 125.229 1.581 . . . . 0.0 110.36 -173.358 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -67.0 -45.82 76.42 Favored 'General case' 0 C--N 1.347 0.464 0 CA-C-N 113.348 -1.751 . . . . 0.0 110.928 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.565 HD23 ' SG ' ' A' ' 26' ' ' CYS . 3.7 tp -65.87 -32.68 74.33 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 125.206 1.566 . . . . 0.0 111.363 -177.785 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.692 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -71.25 -36.57 71.82 Favored 'General case' 0 C--N 1.354 0.804 0 O-C-N 125.135 1.522 . . . . 0.0 112.215 176.66 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.43 10.73 1.5 Allowed 'General case' 0 CA--C 1.549 0.931 0 O-C-N 124.541 1.151 . . . . 0.0 111.844 173.598 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -116.31 -30.43 5.93 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 113.951 -1.477 . . . . 0.0 109.277 172.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -79.89 -23.36 41.9 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-O 122.82 1.295 . . . . 0.0 109.272 175.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.692 HD12 ' O ' ' A' ' 33' ' ' ALA . 0.6 OUTLIER -86.21 -42.53 13.74 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 113.877 -1.51 . . . . 0.0 110.281 -178.701 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.558 HD11 HD22 ' A' ' 12' ' ' LEU . 6.8 mt . . . . . 0 CA--C 1.544 0.728 0 CA-C-N 113.719 -1.582 . . . . 0.0 112.47 -166.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.21 -0.987 0 CA-C-O 119.115 -0.469 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.6 mt -56.78 -44.65 82.19 Favored 'Isoleucine or valine' 0 C--N 1.359 1.012 0 C-N-CA 118.52 -1.272 . . . . 0.0 111.199 -175.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.22 -23.6 54.59 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 119.019 -1.072 . . . . 0.0 112.361 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.11 -23.33 38.46 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 114.351 -1.295 . . . . 0.0 111.506 -176.71 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.792 ' HA ' HD12 ' A' ' 12' ' ' LEU . 15.6 mt -88.71 -29.31 19.95 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 112.973 -1.921 . . . . 0.0 108.338 178.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.0 -32.39 57.16 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 112.949 -1.932 . . . . 0.0 110.019 176.745 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.76 -21.65 59.22 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-N 113.665 -1.607 . . . . 0.0 111.652 -174.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.792 HD12 ' HA ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -57.51 -23.87 52.72 Favored 'General case' 0 CA--C 1.555 1.159 0 O-C-N 124.896 1.372 . . . . 0.0 110.883 169.293 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.16 -1.52 5.79 Favored Glycine 0 CA--C 1.545 1.957 0 O-C-N 124.668 1.23 . . . . 0.0 113.182 175.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.579 ' HB3' HD11 ' A' ' 18' ' ' LEU . 67.1 m-85 -93.54 163.22 25.26 Favored Pre-proline 0 C--O 1.204 -1.297 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -175.092 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -81.87 143.9 13.38 Favored 'Trans proline' 0 C--N 1.379 2.153 0 C-N-CA 123.231 2.621 . . . . 0.0 113.158 170.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -53.86 -20.02 5.28 Favored 'General case' 0 C--N 1.363 1.163 0 O-C-N 124.088 0.867 . . . . 0.0 113.111 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 43.1 t -70.9 -44.35 66.44 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.819 -177.055 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.579 HD11 ' HB3' ' A' ' 14' ' ' PHE . 1.4 pp -78.43 -22.9 47.01 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 124.224 0.953 . . . . 0.0 111.029 176.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.529 ' N ' HD12 ' A' ' 18' ' ' LEU . 25.0 t -66.74 -50.42 65.87 Favored 'Isoleucine or valine' 0 C--N 1.352 0.706 0 O-C-N 125.48 1.737 . . . . 0.0 110.001 -175.669 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -52.36 -53.35 19.78 Favored 'Isoleucine or valine' 0 C--N 1.349 0.576 0 O-C-N 125.77 1.918 . . . . 0.0 110.951 -176.364 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -76.7 -21.98 54.59 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 112.726 -2.034 . . . . 0.0 111.09 -177.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.4 -22.13 44.71 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 119.219 -0.992 . . . . 0.0 112.023 178.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.771 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.2 t80 -85.96 -50.49 7.04 Favored 'General case' 0 C--N 1.346 0.438 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 178.13 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -65.51 -35.27 80.37 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 111.611 -2.54 . . . . 0.0 111.308 -174.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.27 -31.83 66.12 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 123.984 0.802 . . . . 0.0 110.867 175.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.598 ' SG ' HD22 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -89.09 13.25 13.5 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 124.647 1.217 . . . . 0.0 112.471 178.708 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 64.52 67.12 0.58 Allowed 'General case' 0 C--N 1.359 1.015 0 CA-C-O 122.356 1.074 . . . . 0.0 110.028 -177.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 30.92 41.99 0.01 OUTLIER 'General case' 0 CA--C 1.563 1.479 0 CA-C-N 112.728 -2.033 . . . . 0.0 114.383 178.173 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.439 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.7 OUTLIER -104.26 147.31 27.63 Favored 'General case' 0 C--O 1.209 -1.04 0 CA-C-N 114.625 -1.17 . . . . 0.0 108.445 -168.24 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.31 -51.61 6.46 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 125.251 1.594 . . . . 0.0 109.926 -174.457 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -67.91 -46.51 71.35 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 113.724 -1.58 . . . . 0.0 111.041 -178.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.598 HD22 ' SG ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -67.96 -34.27 76.23 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 125.083 1.489 . . . . 0.0 110.243 -177.39 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.655 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -67.31 -37.61 83.63 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 124.313 1.008 . . . . 0.0 111.831 176.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.17 13.06 0.76 Allowed 'General case' 0 CA--C 1.55 0.967 0 O-C-N 124.758 1.286 . . . . 0.0 111.921 173.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.34 -35.35 4.66 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 114.125 -1.398 . . . . 0.0 108.447 171.645 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -80.16 -18.51 49.53 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.378 178.293 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.721 HD13 HD22 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -93.06 -37.72 12.01 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 113.922 -1.49 . . . . 0.0 110.322 -178.491 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.514 HD21 HD22 ' A' ' 12' ' ' LEU . 5.9 mt . . . . . 0 C--N 1.349 0.583 0 O-C-N 124.991 1.432 . . . . 0.0 111.586 -168.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.211 -0.936 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.211 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.4 mm -55.74 -44.15 76.2 Favored 'Isoleucine or valine' 0 C--N 1.359 1.008 0 C-N-CA 119.231 -0.988 . . . . 0.0 110.74 -173.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.19 -23.97 47.34 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 115.157 -0.928 . . . . 0.0 112.975 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.23 -19.23 40.11 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 114.406 -1.27 . . . . 0.0 111.618 -178.681 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.801 ' HA ' HD12 ' A' ' 12' ' ' LEU . 13.8 mt -90.02 -28.81 18.83 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 113.288 -1.778 . . . . 0.0 108.534 178.66 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.05 -31.25 44.45 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 112.196 -2.274 . . . . 0.0 110.256 175.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.51 -22.48 57.1 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 113.542 -1.663 . . . . 0.0 111.674 -175.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.801 HD12 ' HA ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -55.94 -22.83 28.4 Favored 'General case' 0 CA--C 1.554 1.115 0 O-C-N 124.994 1.434 . . . . 0.0 110.871 169.552 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.81 -1.95 6.37 Favored Glycine 0 CA--C 1.541 1.677 0 O-C-N 124.667 1.23 . . . . 0.0 113.165 176.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.664 ' HB3' HD11 ' A' ' 18' ' ' LEU . 82.0 m-85 -96.28 163.08 21.56 Favored Pre-proline 0 C--N 1.348 0.526 0 CA-C-N 114.619 -0.791 . . . . 0.0 110.424 -173.599 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -83.51 143.82 11.11 Favored 'Trans proline' 0 C--N 1.365 1.424 0 C-N-CA 123.201 2.601 . . . . 0.0 112.895 172.313 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -54.53 -18.46 4.39 Favored 'General case' 0 CA--C 1.557 1.233 0 O-C-N 124.194 0.934 . . . . 0.0 112.821 -178.028 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.95 -43.6 82.72 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 114.095 -1.411 . . . . 0.0 111.946 -177.602 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.739 HD12 ' N ' ' A' ' 19' ' ' VAL . 0.8 OUTLIER -79.81 -22.68 42.76 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 124.494 1.121 . . . . 0.0 111.08 176.622 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.739 ' N ' HD12 ' A' ' 18' ' ' LEU . 25.6 t -65.71 -49.16 79.32 Favored 'Isoleucine or valine' 0 C--N 1.354 0.789 0 O-C-N 125.54 1.775 . . . . 0.0 109.664 -173.339 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -51.94 -57.36 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 CA-C-N 112.427 -2.17 . . . . 0.0 109.995 179.227 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -80.24 -2.26 44.24 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 124.599 1.187 . . . . 0.0 112.771 -175.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.75 -20.04 17.13 Favored 'General case' 0 C--N 1.354 0.778 0 O-C-N 124.009 0.818 . . . . 0.0 112.251 176.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.702 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -89.67 -43.85 10.44 Favored 'General case' 0 C--N 1.348 0.526 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 175.026 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -72.16 -37.37 69.39 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-N 112.223 -2.262 . . . . 0.0 111.33 -173.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.61 -25.38 62.15 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 124.349 1.031 . . . . 0.0 111.525 174.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.496 ' SG ' HD23 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -92.57 8.59 38.26 Favored 'General case' 0 C--N 1.351 0.638 0 O-C-N 124.731 1.269 . . . . 0.0 112.615 177.249 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 64.69 70.72 0.48 Allowed 'General case' 0 C--N 1.355 0.825 0 CA-C-O 121.885 0.85 . . . . 0.0 110.526 -177.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.6 mptt 33.32 36.81 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.335 0 CA-C-N 113.285 -1.78 . . . . 0.0 114.478 178.159 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.494 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 2.6 m-20 -96.38 156.73 16.22 Favored 'General case' 0 C--O 1.212 -0.89 0 CA-C-N 114.009 -1.451 . . . . 0.0 107.811 -170.673 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.14 -59.54 1.87 Allowed 'General case' 0 C--N 1.35 0.609 0 O-C-N 125.823 1.952 . . . . 0.0 110.288 -173.458 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.08 -43.65 82.04 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 125.021 1.451 . . . . 0.0 111.025 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.496 HD23 ' SG ' ' A' ' 26' ' ' CYS . 3.4 tp -64.31 -34.15 77.47 Favored 'General case' 0 C--N 1.347 0.48 0 CA-C-N 113.429 -1.714 . . . . 0.0 111.157 -179.074 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.679 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -68.66 -40.11 80.36 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 125.149 1.531 . . . . 0.0 112.074 176.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.88 9.54 1.48 Allowed 'General case' 0 CA--C 1.546 0.795 0 O-C-N 124.722 1.264 . . . . 0.0 111.585 173.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -113.09 -30.13 7.09 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 114.264 -1.335 . . . . 0.0 109.866 172.077 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -83.57 -14.97 50.91 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-O 122.497 1.141 . . . . 0.0 110.336 175.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.706 HD13 HD22 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -96.75 -35.72 10.89 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 113.907 -1.497 . . . . 0.0 110.406 -179.391 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.563 HD21 HD22 ' A' ' 12' ' ' LEU . 5.7 mt . . . . . 0 C--N 1.349 0.563 0 O-C-N 125.161 1.538 . . . . 0.0 112.075 -170.066 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.605 0 CA-C-O 118.931 -0.556 . . . . 0.0 110.002 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.407 ' HA ' HG11 ' A' ' 19' ' ' VAL . 13.2 mt -67.22 -9.55 10.24 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.029 0 C-N-CA 119.101 -1.04 . . . . 0.0 112.202 -173.455 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -105.83 -26.95 11.53 Favored 'General case' 0 C--N 1.354 0.791 0 O-C-N 123.689 0.618 . . . . 0.0 111.156 174.169 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.37 -25.11 42.25 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 124.712 1.257 . . . . 0.0 111.016 -177.706 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.782 HD11 ' CD1' ' A' ' 23' ' ' TYR . 20.8 mt -84.87 -32.48 23.19 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-N 112.482 -2.145 . . . . 0.0 108.305 178.417 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.23 -29.49 54.11 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 112.862 -1.972 . . . . 0.0 110.695 178.672 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.28 -20.43 57.36 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 113.453 -1.703 . . . . 0.0 111.525 -175.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.751 HD12 ' HA ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -58.39 -22.89 55.49 Favored 'General case' 0 CA--C 1.555 1.147 0 O-C-N 125.015 1.447 . . . . 0.0 110.989 169.373 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.99 0.28 6.01 Favored Glycine 0 CA--C 1.545 1.927 0 O-C-N 124.843 1.339 . . . . 0.0 113.127 176.151 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.598 ' HB3' HD11 ' A' ' 18' ' ' LEU . 65.3 m-85 -94.27 163.66 22.57 Favored Pre-proline 0 C--O 1.248 0.993 0 O-C-N 124.1 0.53 . . . . 0.0 110.847 -174.508 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.617 ' O ' HG23 ' A' ' 19' ' ' VAL . 94.5 Cg_endo -80.93 150.03 18.05 Favored 'Trans proline' 0 CA--C 1.545 1.075 0 C-N-CA 124.792 3.662 . . . . 0.0 113.734 169.708 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -54.74 -20.19 7.89 Favored 'General case' 0 C--N 1.358 0.957 0 C-N-CA 124.584 1.154 . . . . 0.0 113.42 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.93 -40.42 32.06 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 114.162 -1.381 . . . . 0.0 111.567 -172.039 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.598 HD11 ' HB3' ' A' ' 14' ' ' PHE . 1.3 pp -81.23 -23.07 38.3 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 124.77 1.294 . . . . 0.0 110.755 176.433 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 15' ' ' PRO . 25.3 t -65.21 -52.21 55.55 Favored 'Isoleucine or valine' 0 C--N 1.35 0.63 0 O-C-N 125.486 1.741 . . . . 0.0 110.28 -176.676 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.503 HD13 ' CE1' ' A' ' 24' ' ' PHE . 0.4 OUTLIER -51.87 -57.76 3.18 Favored 'Isoleucine or valine' 0 C--N 1.351 0.667 0 CA-C-N 112.183 -2.28 . . . . 0.0 110.695 179.852 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -72.87 -17.02 61.57 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 113.141 -1.845 . . . . 0.0 111.549 -176.018 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.71 -24.58 31.17 Favored 'General case' 0 C--N 1.351 0.643 0 O-C-N 124.571 1.169 . . . . 0.0 112.242 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.782 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -83.36 -48.64 10.18 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 118.801 -1.16 . . . . 0.0 108.856 178.912 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.503 ' CE1' HD13 ' A' ' 20' ' ' ILE . 10.7 m-85 -65.04 -36.66 85.07 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 112.232 -2.258 . . . . 0.0 111.57 -178.187 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.36 -29.53 66.23 Favored 'General case' 0 C--N 1.357 0.919 0 O-C-N 123.893 0.745 . . . . 0.0 110.871 175.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.502 ' SG ' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -89.87 11.35 20.55 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 124.861 1.35 . . . . 0.0 112.127 176.72 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 59.26 73.82 0.47 Allowed 'General case' 0 C--N 1.357 0.91 0 CA-C-O 122.409 1.1 . . . . 0.0 110.273 -176.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 27.12 50.44 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.197 0 CA-C-N 111.562 -2.563 . . . . 0.0 114.86 176.386 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.444 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.6 OUTLIER -115.25 149.09 38.32 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-N 114.32 -1.309 . . . . 0.0 108.977 -169.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.01 -51.63 5.5 Favored 'General case' 0 C--O 1.221 -0.407 0 O-C-N 125.241 1.588 . . . . 0.0 111.17 -172.414 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -67.74 -46.52 71.89 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 113.1 -1.864 . . . . 0.0 110.432 178.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.502 HD23 ' SG ' ' A' ' 26' ' ' CYS . 3.5 tp -65.89 -33.82 76.71 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 125.32 1.638 . . . . 0.0 111.047 -176.715 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.658 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -71.4 -36.59 71.43 Favored 'General case' 0 C--N 1.355 0.833 0 O-C-N 125.174 1.546 . . . . 0.0 112.129 177.12 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.14 11.99 1.31 Allowed 'General case' 0 CA--C 1.551 0.981 0 O-C-N 124.635 1.21 . . . . 0.0 111.43 172.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -118.32 -24.08 7.03 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 114.024 -1.444 . . . . 0.0 110.036 173.205 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -90.1 -19.73 23.99 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 124.192 0.933 . . . . 0.0 110.78 174.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.714 HD13 HD22 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -88.45 -37.48 15.79 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.239 -1.346 . . . . 0.0 109.949 179.186 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.6 HD21 HD22 ' A' ' 12' ' ' LEU . 4.0 mt . . . . . 0 C--N 1.352 0.702 0 O-C-N 125.174 1.546 . . . . 0.0 111.396 -170.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.662 0 CA-C-O 119.491 -0.29 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.411 ' HA ' ' CG1' ' A' ' 19' ' ' VAL . 7.8 mt -66.85 -10.56 11.97 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.044 0 C-N-CA 118.859 -1.136 . . . . 0.0 111.92 -176.04 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -105.14 -27.8 11.37 Favored 'General case' 0 C--N 1.36 1.027 0 O-C-N 124.381 1.05 . . . . 0.0 111.552 174.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.24 -24.11 37.58 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 124.8 1.312 . . . . 0.0 111.425 -177.35 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.824 ' HA ' HD12 ' A' ' 12' ' ' LEU . 24.2 mt -84.7 -30.84 24.45 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 112.518 -2.128 . . . . 0.0 109.203 178.121 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.03 -30.83 44.39 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 111.992 -2.367 . . . . 0.0 110.658 178.263 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.35 -21.31 59.75 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 113.089 -1.869 . . . . 0.0 111.657 -177.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.824 HD12 ' HA ' ' A' ' 9' ' ' LEU . 0.9 OUTLIER -57.73 -21.02 38.65 Favored 'General case' 0 CA--C 1.554 1.11 0 CA-C-N 113.87 -1.514 . . . . 0.0 111.258 169.364 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.47 13.76 5.12 Favored Glycine 0 C--N 1.359 1.838 0 O-C-N 124.801 1.313 . . . . 0.0 112.836 176.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.653 ' HB3' HD11 ' A' ' 18' ' ' LEU . 31.6 m-85 -107.64 159.55 29.92 Favored Pre-proline 0 C--O 1.259 1.597 0 CA-C-N 114.325 -0.938 . . . . 0.0 108.775 -172.592 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.647 ' O ' HG23 ' A' ' 19' ' ' VAL . 80.9 Cg_endo -83.15 146.75 12.74 Favored 'Trans proline' 0 CA--C 1.543 0.928 1 C-N-CA 125.478 4.119 . . . . 0.0 113.199 172.201 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -51.7 -19.17 1.47 Allowed 'General case' 0 C--N 1.36 1.03 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.9 t -74.89 -42.4 57.9 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 124.281 0.988 . . . . 0.0 112.742 -175.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.653 HD11 ' HB3' ' A' ' 14' ' ' PHE . 1.6 pp -83.25 -20.24 34.89 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 114.826 -1.079 . . . . 0.0 110.966 177.631 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 15' ' ' PRO . 37.0 t -67.46 -51.22 54.31 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 CA-C-N 112.968 -1.924 . . . . 0.0 109.87 -176.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.475 HD13 ' CE1' ' A' ' 24' ' ' PHE . 0.4 OUTLIER -54.66 -53.85 28.13 Favored 'Isoleucine or valine' 0 C--N 1.35 0.608 0 CA-C-N 112.26 -2.245 . . . . 0.0 110.382 -178.867 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -72.29 -20.16 61.56 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 112.393 -2.185 . . . . 0.0 110.866 -174.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.72 -50.51 24.24 Favored 'General case' 0 C--O 1.215 -0.717 0 O-C-N 124.395 1.059 . . . . 0.0 110.79 177.235 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.769 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -60.18 -52.83 63.65 Favored 'General case' 0 C--N 1.356 0.873 0 O-C-N 124.516 1.135 . . . . 0.0 110.587 -179.163 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.475 ' CE1' HD13 ' A' ' 20' ' ' ILE . 4.0 m-85 -60.22 -39.4 86.5 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 112.299 -2.228 . . . . 0.0 111.556 -177.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.47 -29.66 63.85 Favored 'General case' 0 C--N 1.358 0.966 0 O-C-N 124.286 0.992 . . . . 0.0 111.699 177.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.57 ' SG ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -91.91 12.44 21.66 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 125.0 1.438 . . . . 0.0 111.794 178.453 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 61.02 74.79 0.44 Allowed 'General case' 0 C--N 1.357 0.929 0 O-C-N 123.956 0.785 . . . . 0.0 110.84 -175.161 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 29.82 42.73 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.075 0 CA-C-N 112.889 -1.96 . . . . 0.0 114.85 175.476 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.438 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -109.91 146.0 35.9 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 114.389 -1.278 . . . . 0.0 108.833 -169.033 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.39 -50.58 7.19 Favored 'General case' 0 C--O 1.22 -0.464 0 O-C-N 125.331 1.644 . . . . 0.0 110.976 -176.547 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.64 -47.46 69.52 Favored 'General case' 0 C--N 1.348 0.515 0 CA-C-N 112.641 -2.072 . . . . 0.0 110.919 -178.348 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.57 HD23 ' SG ' ' A' ' 26' ' ' CYS . 3.9 tp -68.26 -32.98 73.54 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 112.913 -1.949 . . . . 0.0 111.773 -177.506 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.718 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -71.34 -36.24 71.48 Favored 'General case' 0 C--N 1.356 0.88 0 O-C-N 125.025 1.453 . . . . 0.0 111.958 177.25 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.47 9.24 2.28 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 124.671 1.232 . . . . 0.0 111.803 173.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -115.89 -27.56 6.96 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 113.935 -1.484 . . . . 0.0 109.824 173.62 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -85.07 -19.9 31.21 Favored 'General case' 0 C--O 1.219 -0.536 0 C-N-CA 119.378 -0.929 . . . . 0.0 110.405 175.353 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.733 HD13 HD22 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -89.23 -41.02 12.46 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 113.96 -1.473 . . . . 0.0 110.185 179.504 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.653 HD21 HD22 ' A' ' 12' ' ' LEU . 5.8 mt . . . . . 0 C--N 1.35 0.628 0 O-C-N 125.015 1.447 . . . . 0.0 112.444 -170.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.415 ' CB ' ' CZ ' ' A' ' 23' ' ' TYR . . . . . . . . 0 N--CA 1.444 -0.756 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.1 mt -63.01 -13.9 13.01 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.955 0 C-N-CA 118.744 -1.183 . . . . 0.0 112.475 -175.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -103.15 -29.85 11.07 Favored 'General case' 0 C--N 1.357 0.9 0 O-C-N 124.091 0.869 . . . . 0.0 111.312 175.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.32 -22.16 44.92 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 124.617 1.198 . . . . 0.0 111.569 -176.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.794 ' HA ' HD12 ' A' ' 12' ' ' LEU . 22.4 mt -86.97 -32.89 19.84 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 112.69 -2.05 . . . . 0.0 108.52 177.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.26 -30.06 60.35 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 112.859 -1.973 . . . . 0.0 110.274 177.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.07 -21.46 54.39 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 113.316 -1.766 . . . . 0.0 111.606 -175.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.794 HD12 ' HA ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -57.34 -22.66 43.75 Favored 'General case' 0 CA--C 1.553 1.087 0 O-C-N 124.909 1.381 . . . . 0.0 110.994 169.613 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.0 -3.78 6.01 Favored Glycine 0 CA--C 1.542 1.726 0 O-C-N 124.671 1.232 . . . . 0.0 112.906 176.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.611 ' HB3' HD11 ' A' ' 18' ' ' LEU . 70.8 m-85 -92.31 162.77 29.12 Favored Pre-proline 0 C--N 1.35 0.629 0 O-C-N 124.262 0.625 . . . . 0.0 110.307 -174.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.596 ' O ' HG23 ' A' ' 19' ' ' VAL . 90.2 Cg_endo -83.03 148.64 13.48 Favored 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 123.84 3.026 . . . . 0.0 112.411 170.595 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -54.13 -20.26 6.36 Favored 'General case' 0 CA--C 1.552 1.046 0 O-C-N 124.423 1.077 . . . . 0.0 113.015 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.5 t -71.21 -44.88 64.51 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.038 -0.983 . . . . 0.0 112.358 -176.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.611 HD11 ' HB3' ' A' ' 14' ' ' PHE . 2.1 pp -80.67 -21.64 41.17 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 119.058 -1.057 . . . . 0.0 111.13 177.537 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 15' ' ' PRO . 24.7 t -65.94 -51.7 57.78 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 O-C-N 125.51 1.756 . . . . 0.0 110.297 -177.162 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.542 HD13 ' CE1' ' A' ' 24' ' ' PHE . 0.4 OUTLIER -49.87 -58.26 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.601 0 O-C-N 126.125 2.141 . . . . 0.0 110.676 179.713 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -75.12 -18.01 60.31 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 113.211 -1.813 . . . . 0.0 111.24 -174.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.72 -21.4 34.8 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 123.918 0.761 . . . . 0.0 112.599 178.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.786 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -84.45 -47.32 10.76 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 124.241 0.963 . . . . 0.0 108.424 176.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.542 ' CE1' HD13 ' A' ' 20' ' ' ILE . 2.7 m-85 -67.23 -38.18 84.8 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-N 112.084 -2.325 . . . . 0.0 111.528 -176.14 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.14 -26.34 63.9 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 124.487 1.117 . . . . 0.0 111.132 175.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.422 ' SG ' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -97.31 10.03 40.67 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 124.808 1.317 . . . . 0.0 112.397 177.139 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 62.27 74.53 0.43 Allowed 'General case' 0 C--N 1.358 0.947 0 O-C-N 123.987 0.805 . . . . 0.0 111.259 -177.226 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.458 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.4 OUTLIER 25.85 41.59 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 126.288 1.835 . . . . 0.0 114.726 179.426 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.515 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -103.03 151.73 22.17 Favored 'General case' 0 C--O 1.216 -0.67 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -170.026 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.55 -56.37 3.38 Favored 'General case' 0 C--O 1.221 -0.417 0 O-C-N 124.999 1.437 . . . . 0.0 110.577 -174.365 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -64.92 -47.35 78.05 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 113.315 -1.766 . . . . 0.0 111.25 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.422 HD23 ' SG ' ' A' ' 26' ' ' CYS . 3.9 tp -64.08 -35.88 82.18 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-N 113.289 -1.778 . . . . 0.0 111.139 -177.566 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.642 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -68.19 -37.05 80.5 Favored 'General case' 0 C--N 1.353 0.734 0 O-C-N 125.172 1.545 . . . . 0.0 112.714 178.037 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.52 13.05 0.84 Allowed 'General case' 0 CA--C 1.549 0.905 0 O-C-N 124.769 1.293 . . . . 0.0 111.571 173.229 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -118.24 -29.89 5.42 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 114.017 -1.447 . . . . 0.0 109.6 172.53 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.401 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 11.4 t80 -80.99 -21.91 39.88 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 119.549 -0.86 . . . . 0.0 110.563 175.046 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.734 HD13 HD22 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -90.67 -37.81 13.5 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.139 -1.391 . . . . 0.0 110.92 -177.479 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.518 HD21 HD22 ' A' ' 12' ' ' LEU . 4.8 mt . . . . . 0 C--N 1.352 0.705 0 O-C-N 125.067 1.479 . . . . 0.0 111.393 -170.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.79 0 CA-C-O 118.619 -0.705 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 44.1 mt -64.68 -12.39 12.68 Favored 'Isoleucine or valine' 0 C--N 1.358 0.974 0 C-N-CA 119.251 -0.98 . . . . 0.0 112.073 -173.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -106.7 -25.6 11.68 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-N 114.665 -1.152 . . . . 0.0 111.059 176.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.43 -21.87 44.97 Favored 'General case' 0 CA--C 1.547 0.827 0 O-C-N 124.458 1.099 . . . . 0.0 111.775 178.459 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.859 ' HA ' HD12 ' A' ' 12' ' ' LEU . 22.0 mt -90.14 -30.23 17.77 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 112.964 -1.925 . . . . 0.0 109.081 -178.388 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.75 -31.35 40.99 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 111.549 -2.569 . . . . 0.0 109.924 176.309 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.0 -20.24 58.01 Favored 'General case' 0 C--N 1.356 0.889 0 CA-C-N 113.548 -1.66 . . . . 0.0 111.829 -176.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.859 HD12 ' HA ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -56.42 -21.56 26.01 Favored 'General case' 0 CA--C 1.555 1.16 0 O-C-N 125.031 1.457 . . . . 0.0 110.962 169.166 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 127.46 -1.1 7.0 Favored Glycine 0 CA--C 1.543 1.837 0 O-C-N 124.603 1.189 . . . . 0.0 112.822 174.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.965 ' HB3' HD11 ' A' ' 18' ' ' LEU . 82.3 m-85 -100.66 163.11 18.74 Favored Pre-proline 0 C--O 1.25 1.098 0 CA-C-N 114.47 -0.865 . . . . 0.0 110.5 -170.649 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.557 ' HD2' HD21 ' A' ' 18' ' ' LEU . 72.6 Cg_endo -80.77 157.24 21.21 Favored 'Trans proline' 0 C--N 1.357 0.99 0 C-N-CA 124.516 3.478 . . . . 0.0 113.225 175.622 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.24 -16.16 51.73 Favored 'General case' 0 CA--C 1.552 1.046 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 -176.239 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.34 -40.53 58.22 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 114.011 -1.45 . . . . 0.0 111.86 -170.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.965 HD11 ' HB3' ' A' ' 14' ' ' PHE . 1.9 pp -80.04 -25.78 40.02 Favored 'General case' 0 C--N 1.357 0.901 0 O-C-N 124.73 1.268 . . . . 0.0 110.7 175.191 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 15' ' ' PRO . 41.1 t -62.19 -54.44 34.35 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.619 0 O-C-N 125.259 1.599 . . . . 0.0 110.54 -175.597 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -51.65 -53.75 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 CA-C-N 112.335 -2.211 . . . . 0.0 111.15 -178.588 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -79.32 -13.06 59.89 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 112.899 -1.955 . . . . 0.0 112.175 -174.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.96 -15.51 27.89 Favored 'General case' 0 C--N 1.351 0.654 0 O-C-N 124.218 0.949 . . . . 0.0 111.574 177.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.735 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.1 t80 -90.55 -61.98 1.56 Allowed 'General case' 0 C--N 1.349 0.564 0 O-C-N 124.626 1.204 . . . . 0.0 107.756 177.451 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -56.2 -33.56 65.43 Favored 'General case' 0 CA--C 1.549 0.939 0 O-C-N 126.109 2.131 . . . . 0.0 113.269 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.75 -32.14 59.86 Favored 'General case' 0 C--N 1.359 0.984 0 C-N-CA 119.076 -1.049 . . . . 0.0 111.398 177.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.513 ' SG ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -92.85 17.79 9.99 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 124.782 1.301 . . . . 0.0 111.82 -179.713 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 60.93 69.36 0.68 Allowed 'General case' 0 C--N 1.36 1.048 0 CA-C-O 122.145 0.974 . . . . 0.0 110.627 -176.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.421 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 26.44 43.06 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.135 0 CA-C-N 112.234 -2.257 . . . . 0.0 114.571 176.369 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -105.09 145.21 30.83 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 -167.083 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.16 -44.0 14.41 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 124.84 1.337 . . . . 0.0 110.454 -173.647 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -70.41 -48.5 55.81 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 113.04 -1.891 . . . . 0.0 110.885 -179.011 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.513 HD23 ' SG ' ' A' ' 26' ' ' CYS . 5.2 tp -69.92 -30.46 67.87 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-N 113.389 -1.732 . . . . 0.0 112.051 -175.766 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.679 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -73.97 -37.73 64.4 Favored 'General case' 0 C--N 1.356 0.876 0 O-C-N 125.215 1.572 . . . . 0.0 111.388 176.044 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.32 9.69 1.58 Allowed 'General case' 0 CA--C 1.545 0.771 0 O-C-N 124.573 1.17 . . . . 0.0 111.925 173.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -111.86 -35.75 5.62 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 114.025 -1.443 . . . . 0.0 109.031 169.356 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -82.11 -6.55 59.27 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-O 121.806 0.812 . . . . 0.0 112.36 178.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.726 HD23 HD13 ' A' ' 18' ' ' LEU . 2.0 mt -99.89 -40.1 7.85 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 113.982 -1.463 . . . . 0.0 109.577 178.789 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.818 HD21 HD22 ' A' ' 12' ' ' LEU . 8.5 mt . . . . . 0 C--N 1.352 0.694 0 CA-C-N 113.284 -1.78 . . . . 0.0 111.955 -168.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.443 ' CB ' ' CZ ' ' A' ' 23' ' ' TYR . . . . . . . . 0 N--CA 1.447 -0.623 0 CA-C-O 119.235 -0.412 . . . . 0.0 110.216 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.419 ' CG2' ' HG3' ' A' ' 16' ' ' GLU . 14.2 mt -60.32 -15.28 9.94 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 C-N-CA 118.696 -1.201 . . . . 0.0 112.689 -175.398 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -101.33 -28.98 12.31 Favored 'General case' 0 C--N 1.355 0.844 0 O-C-N 124.071 0.857 . . . . 0.0 111.434 175.068 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.42 -21.44 55.96 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 124.574 1.171 . . . . 0.0 111.544 -178.203 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.9 ' HA ' HD12 ' A' ' 12' ' ' LEU . 18.0 mt -92.29 -28.12 17.17 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-N 112.958 -1.928 . . . . 0.0 109.174 -178.645 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.16 -28.18 38.85 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 111.88 -2.418 . . . . 0.0 110.201 175.467 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.21 -19.04 51.76 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 113.354 -1.748 . . . . 0.0 111.328 -176.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.9 HD12 ' HA ' ' A' ' 9' ' ' LEU . 1.0 OUTLIER -56.47 -21.49 26.04 Favored 'General case' 0 C--N 1.356 0.877 0 O-C-N 124.998 1.436 . . . . 0.0 111.432 168.198 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 126.73 -1.51 7.42 Favored Glycine 0 C--N 1.354 1.574 0 O-C-N 125.065 1.478 . . . . 0.0 112.033 177.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.436 ' HB3' HD11 ' A' ' 18' ' ' LEU . 18.0 m-30 -101.02 164.64 15.68 Favored Pre-proline 0 C--O 1.252 1.22 0 CA-C-N 113.862 -1.169 . . . . 0.0 110.074 -167.735 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.543 ' O ' HG23 ' A' ' 19' ' ' VAL . 93.9 Cg_endo -87.93 149.35 7.05 Favored 'Trans proline' 0 CA--C 1.537 0.661 0 C-N-CA 124.87 3.714 . . . . 0.0 112.601 175.162 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.419 ' HG3' ' CG2' ' A' ' 6' ' ' ILE . 27.5 tt0 -54.87 -16.23 2.52 Favored 'General case' 0 CA--C 1.556 1.176 0 CA-C-N 114.529 -1.214 . . . . 0.0 113.648 -179.207 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.64 -46.98 51.32 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 114.965 -1.016 . . . . 0.0 112.117 -175.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.524 HD13 HD23 ' A' ' 37' ' ' LEU . 2.8 pp -80.31 -22.55 41.41 Favored 'General case' 0 C--N 1.358 0.959 0 O-C-N 124.594 1.184 . . . . 0.0 111.155 177.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 15' ' ' PRO . 23.6 t -65.34 -51.01 69.8 Favored 'Isoleucine or valine' 0 C--N 1.35 0.611 0 O-C-N 125.634 1.834 . . . . 0.0 110.23 -177.256 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.472 HD13 ' CE1' ' A' ' 24' ' ' PHE . 0.4 OUTLIER -51.83 -55.63 8.66 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 CA-C-N 112.731 -2.031 . . . . 0.0 110.242 -178.88 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -76.31 -16.52 59.75 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 112.842 -1.981 . . . . 0.0 111.6 -173.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.61 -25.97 30.37 Favored 'General case' 0 C--O 1.217 -0.63 0 O-C-N 124.438 1.086 . . . . 0.0 112.295 177.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.75 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.8 OUTLIER -81.2 -48.49 12.01 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 124.286 0.991 . . . . 0.0 108.45 178.004 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.472 ' CE1' HD13 ' A' ' 20' ' ' ILE . 2.8 m-85 -64.3 -38.29 90.52 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 111.391 -2.64 . . . . 0.0 111.164 -176.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.5 -29.57 64.95 Favored 'General case' 0 C--N 1.358 0.963 0 O-C-N 124.141 0.901 . . . . 0.0 111.427 176.092 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.492 ' SG ' ' HB2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -92.51 13.22 20.36 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 124.78 1.3 . . . . 0.0 112.229 178.015 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 60.94 72.01 0.54 Allowed 'General case' 0 C--N 1.357 0.913 0 CA-C-O 122.035 0.921 . . . . 0.0 110.394 -177.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.404 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 32.79 41.44 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 112.678 -2.056 . . . . 0.0 115.312 174.232 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.433 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.7 OUTLIER -108.71 147.34 32.1 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-N 114.259 -1.337 . . . . 0.0 109.058 -168.51 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.93 -50.75 6.23 Favored 'General case' 0 C--O 1.219 -0.521 0 O-C-N 125.295 1.622 . . . . 0.0 110.923 -172.327 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -70.64 -45.05 65.9 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 112.578 -2.101 . . . . 0.0 110.666 178.355 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.448 HD23 ' SG ' ' A' ' 26' ' ' CYS . 3.5 tp -64.26 -36.99 85.9 Favored 'General case' 0 C--N 1.356 0.851 0 O-C-N 125.325 1.64 . . . . 0.0 110.891 -177.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.679 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -69.86 -40.29 75.84 Favored 'General case' 0 C--N 1.357 0.913 0 O-C-N 125.461 1.726 . . . . 0.0 112.426 179.012 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.34 9.22 1.37 Allowed 'General case' 0 CA--C 1.55 0.955 0 O-C-N 124.522 1.139 . . . . 0.0 112.043 174.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -116.45 -28.14 6.56 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 113.837 -1.529 . . . . 0.0 109.05 172.216 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.492 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 23.6 t80 -85.91 -11.75 52.4 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-O 122.533 1.158 . . . . 0.0 110.695 177.252 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.735 ' CD1' HD22 ' A' ' 9' ' ' LEU . 2.3 mt -96.54 -44.79 7.01 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 113.5 -1.682 . . . . 0.0 108.64 -179.535 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.88 HD21 HD22 ' A' ' 12' ' ' LEU . 7.2 mt . . . . . 0 C--N 1.352 0.678 0 CA-C-N 113.526 -1.67 . . . . 0.0 113.574 -170.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.429 ' CB ' ' CZ ' ' A' ' 23' ' ' TYR . . . . . . . . 0 C--O 1.212 -0.883 0 CA-C-O 119.568 -0.253 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.6 mt -65.51 -11.25 11.8 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 C-N-CA 118.711 -1.196 . . . . 0.0 111.846 -177.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.63 -25.72 12.14 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 124.153 0.908 . . . . 0.0 111.024 176.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.29 -24.04 30.06 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 124.58 1.175 . . . . 0.0 111.236 -177.498 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.882 ' HA ' HD12 ' A' ' 12' ' ' LEU . 16.7 mt -86.97 -33.22 19.71 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 112.604 -2.089 . . . . 0.0 108.274 177.085 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -35.11 67.03 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 112.921 -1.945 . . . . 0.0 110.117 175.201 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.79 -20.77 56.05 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-N 114.024 -1.443 . . . . 0.0 111.652 -173.275 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.882 HD12 ' HA ' ' A' ' 9' ' ' LEU . 2.0 mt -56.86 -23.13 42.05 Favored 'General case' 0 CA--C 1.555 1.137 0 O-C-N 125.235 1.584 . . . . 0.0 110.924 169.428 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.55 -5.98 5.89 Favored Glycine 0 CA--C 1.539 1.57 0 O-C-N 124.734 1.271 . . . . 0.0 112.794 176.335 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.551 ' HB3' HD11 ' A' ' 18' ' ' LEU . 83.7 m-85 -91.93 162.6 30.37 Favored Pre-proline 0 C--O 1.237 0.44 0 O-C-N 124.514 0.773 . . . . 0.0 110.306 -174.622 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.608 ' O ' HG23 ' A' ' 19' ' ' VAL . 93.7 Cg_endo -83.51 147.62 12.53 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 124.275 3.317 . . . . 0.0 112.71 171.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -54.56 -19.51 6.07 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 124.3 1.0 . . . . 0.0 113.177 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.9 t -70.15 -44.59 68.52 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.984 -176.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.551 HD11 ' HB3' ' A' ' 14' ' ' PHE . 2.2 pp -81.67 -22.24 37.63 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 124.375 1.047 . . . . 0.0 111.608 177.253 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 15' ' ' PRO . 24.5 t -66.45 -52.83 42.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 O-C-N 125.521 1.763 . . . . 0.0 109.642 -175.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -51.63 -53.12 17.93 Favored 'Isoleucine or valine' 0 C--N 1.348 0.526 0 O-C-N 125.775 1.922 . . . . 0.0 111.704 -178.613 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -77.36 -23.15 50.86 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 112.434 -2.166 . . . . 0.0 110.429 -174.321 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.17 -28.31 57.29 Favored 'General case' 0 C--N 1.35 0.623 0 O-C-N 124.834 1.334 . . . . 0.0 111.451 177.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.778 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -78.88 -56.08 4.66 Favored 'General case' 0 C--N 1.346 0.421 0 O-C-N 124.6 1.188 . . . . 0.0 108.971 -179.26 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -60.6 -34.42 74.19 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 112.229 -2.26 . . . . 0.0 111.555 -178.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.73 -36.62 78.63 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 124.057 0.848 . . . . 0.0 110.905 174.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.697 ' SG ' HD22 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -84.26 4.05 32.64 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.781 1.301 . . . . 0.0 112.222 176.928 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 58.11 63.85 1.65 Allowed 'General case' 0 C--N 1.359 0.981 0 O-C-N 124.332 1.02 . . . . 0.0 111.094 -174.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.498 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 27.14 45.63 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 112.068 -2.333 . . . . 0.0 114.614 173.523 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -87.18 -17.48 32.57 Favored 'General case' 0 C--N 1.347 0.473 0 CA-C-N 112.474 -2.148 . . . . 0.0 110.919 -165.199 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . 0.273 0.9 OUTLIER 85.66 -70.3 0.03 OUTLIER 'General case' 0 C--N 1.349 0.549 0 O-C-N 125.668 1.855 . . . . 0.0 111.1 173.205 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -64.46 -45.0 89.31 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 112.83 -1.986 . . . . 0.0 110.843 176.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.697 HD22 ' SG ' ' A' ' 26' ' ' CYS . 0.2 OUTLIER -67.65 -31.13 70.91 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 124.695 1.247 . . . . 0.0 110.728 -179.269 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.684 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -67.97 -39.19 83.39 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-N 114.034 -1.439 . . . . 0.0 111.924 178.51 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.25 8.77 1.96 Allowed 'General case' 0 CA--C 1.548 0.903 0 O-C-N 124.842 1.338 . . . . 0.0 112.321 173.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -115.82 -24.87 7.99 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 114.472 -1.24 . . . . 0.0 109.589 173.225 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -87.92 -16.61 33.38 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 119.653 -0.819 . . . . 0.0 110.891 176.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.765 HD13 HD22 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -93.31 -38.49 11.47 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 113.112 -1.858 . . . . 0.0 109.913 178.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.8 mt . . . . . 0 C--N 1.35 0.589 0 O-C-N 124.776 1.297 . . . . 0.0 111.504 -170.08 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.205 -1.282 0 CA-C-O 118.916 -0.564 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.6 mm -56.77 -44.81 82.46 Favored 'Isoleucine or valine' 0 C--N 1.363 1.166 0 C-N-CA 119.308 -0.957 . . . . 0.0 110.696 -171.394 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -76.44 -25.81 54.79 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 114.129 -1.396 . . . . 0.0 112.684 178.403 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -79.32 -18.84 51.76 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 124.655 1.222 . . . . 0.0 111.622 -178.023 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.845 ' HA ' HD12 ' A' ' 12' ' ' LEU . 10.9 mt -91.67 -28.92 17.16 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 125.43 1.706 . . . . 0.0 108.908 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.08 -30.89 44.16 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 111.422 -2.626 . . . . 0.0 110.632 175.442 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.56 -23.08 56.54 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 113.317 -1.765 . . . . 0.0 111.704 -176.027 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.845 HD12 ' HA ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -55.59 -22.37 21.85 Favored 'General case' 0 CA--C 1.553 1.092 0 O-C-N 125.213 1.571 . . . . 0.0 111.012 169.475 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 125.28 1.95 7.75 Favored Glycine 0 C--N 1.36 1.868 0 O-C-N 124.705 1.253 . . . . 0.0 113.021 175.385 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.602 ' HB3' HD11 ' A' ' 18' ' ' LEU . 98.7 m-85 -99.83 163.04 19.19 Favored Pre-proline 0 C--O 1.216 -0.697 0 CA-C-N 114.028 -1.086 . . . . 0.0 109.738 -173.471 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -82.4 143.71 12.51 Favored 'Trans proline' 0 C--N 1.372 1.787 0 C-N-CA 122.748 2.298 . . . . 0.0 112.549 173.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -53.66 -18.06 2.71 Favored 'General case' 0 C--N 1.366 1.319 0 O-C-N 124.144 0.903 . . . . 0.0 113.181 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.65 -42.06 82.82 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 114.248 -1.342 . . . . 0.0 112.322 -177.462 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.763 HD12 ' N ' ' A' ' 19' ' ' VAL . 0.4 OUTLIER -78.48 -22.56 47.3 Favored 'General case' 0 C--N 1.356 0.884 0 C-N-CA 118.657 -1.217 . . . . 0.0 110.539 176.341 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.763 ' N ' HD12 ' A' ' 18' ' ' LEU . 21.7 t -66.87 -50.98 60.13 Favored 'Isoleucine or valine' 0 C--N 1.354 0.763 0 O-C-N 125.848 1.968 . . . . 0.0 108.994 -169.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.416 HD13 ' CE1' ' A' ' 24' ' ' PHE . 0.4 OUTLIER -50.55 -56.08 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 CA-C-N 111.58 -2.554 . . . . 0.0 110.165 179.579 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -84.01 -1.42 54.7 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 114.16 -1.382 . . . . 0.0 112.815 -174.601 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.52 -15.2 17.94 Favored 'General case' 0 C--N 1.362 1.111 0 O-C-N 124.526 1.141 . . . . 0.0 112.199 175.058 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.722 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -94.04 -49.39 5.8 Favored 'General case' 0 C--O 1.215 -0.753 0 O-C-N 124.885 1.365 . . . . 0.0 108.306 175.899 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.416 ' CE1' HD13 ' A' ' 20' ' ' ILE . 2.2 m-85 -67.22 -37.02 82.89 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 111.664 -2.516 . . . . 0.0 111.076 -175.705 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.12 -29.17 63.81 Favored 'General case' 0 C--N 1.357 0.907 0 O-C-N 124.372 1.045 . . . . 0.0 111.489 175.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.515 ' SG ' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -90.78 11.6 21.88 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 124.86 1.35 . . . . 0.0 112.244 178.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 62.23 75.1 0.42 Allowed 'General case' 0 C--N 1.358 0.94 0 O-C-N 124.242 0.964 . . . . 0.0 110.453 -176.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.414 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 3.4 mmtp 23.78 51.81 0.02 OUTLIER 'General case' 0 CA--C 1.56 1.363 0 CA-C-N 112.836 -1.983 . . . . 0.0 115.094 178.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.441 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -113.29 139.75 48.57 Favored 'General case' 0 C--O 1.201 -1.459 0 CA-C-N 114.099 -1.41 . . . . 0.0 108.489 -169.111 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -79.04 -51.1 10.04 Favored 'General case' 0 C--N 1.359 0.979 0 O-C-N 125.591 1.807 . . . . 0.0 111.267 -178.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.13 -46.71 73.3 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 113.429 -1.714 . . . . 0.0 110.555 -176.01 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.515 HD23 ' SG ' ' A' ' 26' ' ' CYS . 5.3 tp -69.6 -30.98 68.86 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 112.779 -2.01 . . . . 0.0 112.189 -176.742 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.695 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -71.21 -39.1 71.95 Favored 'General case' 0 C--O 1.21 -0.989 0 O-C-N 125.199 1.562 . . . . 0.0 112.104 176.25 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.43 8.05 1.98 Allowed 'General case' 0 CA--C 1.546 0.816 0 O-C-N 124.887 1.367 . . . . 0.0 111.824 174.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -116.08 -23.14 8.62 Favored 'General case' 0 C--O 1.209 -1.03 0 CA-C-N 114.234 -1.348 . . . . 0.0 110.394 173.02 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -88.67 -16.36 32.55 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 119.395 -0.922 . . . . 0.0 111.332 175.098 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.695 HD12 ' O ' ' A' ' 33' ' ' ALA . 0.6 OUTLIER -95.33 -36.63 11.32 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 112.833 -1.985 . . . . 0.0 110.585 -179.63 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.74 HD21 HD22 ' A' ' 12' ' ' LEU . 6.3 mt . . . . . 0 C--N 1.352 0.689 0 O-C-N 125.028 1.455 . . . . 0.0 111.586 -172.573 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.839 0 CA-C-O 119.314 -0.374 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.2 mm -64.08 -12.67 12.26 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.195 0 C-N-CA 118.429 -1.308 . . . . 0.0 111.773 -174.185 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -106.03 -28.88 10.27 Favored 'General case' 0 C--N 1.356 0.88 0 O-C-N 124.362 1.039 . . . . 0.0 111.568 176.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -79.95 -22.03 43.11 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 124.754 1.284 . . . . 0.0 111.165 -178.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.813 ' HA ' HD12 ' A' ' 12' ' ' LEU . 25.9 mt -88.05 -32.42 18.77 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-N 113.02 -1.9 . . . . 0.0 108.034 179.106 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.93 -31.83 59.3 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 112.565 -2.107 . . . . 0.0 110.48 177.412 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.37 -20.89 56.73 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 113.298 -1.774 . . . . 0.0 111.717 -175.541 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.813 HD12 ' HA ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -57.25 -22.85 44.24 Favored 'General case' 0 CA--C 1.554 1.124 0 O-C-N 124.89 1.369 . . . . 0.0 110.968 169.637 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.7 -3.29 5.72 Favored Glycine 0 CA--C 1.543 1.791 0 O-C-N 124.776 1.297 . . . . 0.0 112.877 176.441 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.592 ' HB3' HD11 ' A' ' 18' ' ' LEU . 69.2 m-85 -93.45 163.44 24.65 Favored Pre-proline 0 C--O 1.254 1.322 0 O-C-N 124.186 0.58 . . . . 0.0 111.07 -174.632 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.562 ' O ' HG23 ' A' ' 19' ' ' VAL . 84.5 Cg_endo -83.56 149.04 12.82 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 124.619 3.546 . . . . 0.0 112.394 170.686 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -55.7 -17.53 6.08 Favored 'General case' 0 CA--C 1.552 1.045 0 O-C-N 124.507 1.129 . . . . 0.0 113.062 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.49 -45.18 63.18 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 114.617 -1.174 . . . . 0.0 112.122 -175.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.592 HD11 ' HB3' ' A' ' 14' ' ' PHE . 2.1 pp -82.25 -19.79 38.89 Favored 'General case' 0 C--N 1.356 0.89 0 O-C-N 124.545 1.153 . . . . 0.0 111.126 178.001 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 15' ' ' PRO . 25.5 t -68.69 -48.4 71.68 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 O-C-N 125.382 1.676 . . . . 0.0 110.015 -177.645 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -52.03 -53.96 15.86 Favored 'Isoleucine or valine' 0 C--N 1.352 0.717 0 O-C-N 125.682 1.864 . . . . 0.0 111.318 -178.17 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -78.61 -20.06 51.28 Favored 'General case' 0 C--N 1.347 0.479 0 CA-C-N 112.435 -2.166 . . . . 0.0 110.44 -175.536 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.69 -24.9 44.76 Favored 'General case' 0 C--N 1.351 0.645 0 O-C-N 124.021 0.826 . . . . 0.0 112.171 177.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.713 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -83.59 -50.31 8.36 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 124.758 1.286 . . . . 0.0 108.333 178.783 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -66.4 -34.05 77.09 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 112.003 -2.362 . . . . 0.0 112.159 -175.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.72 -28.88 62.93 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 124.272 0.982 . . . . 0.0 111.128 174.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -91.41 5.11 50.65 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 124.785 1.303 . . . . 0.0 112.79 177.482 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 62.91 72.8 0.48 Allowed 'General case' 0 C--N 1.358 0.953 0 O-C-N 124.239 0.962 . . . . 0.0 110.102 -174.12 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.492 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.2 OUTLIER 31.58 39.08 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.268 0 CA-C-N 112.8 -2.0 . . . . 0.0 114.604 176.245 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.418 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 1.6 m-20 -98.84 143.95 28.59 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-N 114.643 -1.162 . . . . 0.0 108.27 -169.17 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -76.55 -63.65 1.29 Allowed 'General case' 0 C--O 1.22 -0.466 0 O-C-N 124.609 1.193 . . . . 0.0 111.166 -178.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -62.95 -45.05 94.27 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-N 113.636 -1.62 . . . . 0.0 111.322 -175.319 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.8 tp -64.99 -33.05 75.13 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-N 113.372 -1.74 . . . . 0.0 111.695 -178.53 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.679 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -71.16 -36.22 71.94 Favored 'General case' 0 C--N 1.354 0.794 0 O-C-N 125.128 1.517 . . . . 0.0 111.845 176.47 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.25 13.32 0.94 Allowed 'General case' 0 CA--C 1.548 0.872 0 O-C-N 124.644 1.215 . . . . 0.0 111.618 173.143 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.86 -30.09 5.49 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-N 114.043 -1.435 . . . . 0.0 109.447 172.182 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -81.93 -22.71 36.6 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 121.921 0.867 . . . . 0.0 110.95 176.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.712 ' CD1' HD22 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -88.02 -39.47 14.63 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 113.445 -1.707 . . . . 0.0 110.516 -177.934 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.494 HD21 HD22 ' A' ' 12' ' ' LEU . 4.6 mt . . . . . 0 C--N 1.35 0.628 0 O-C-N 125.436 1.71 . . . . 0.0 111.313 -170.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 119.313 -0.375 . . . . 0.0 110.712 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.436 ' HA ' HG11 ' A' ' 19' ' ' VAL . 17.6 mt -63.95 -12.74 12.2 Favored 'Isoleucine or valine' 0 C--N 1.359 0.993 0 C-N-CA 119.13 -1.028 . . . . 0.0 111.959 -175.5 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -102.61 -26.77 13.09 Favored 'General case' 0 C--N 1.356 0.888 0 O-C-N 124.057 0.848 . . . . 0.0 111.478 175.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.14 -24.88 40.13 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 114.674 -1.148 . . . . 0.0 111.413 -177.037 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.86 ' HA ' HD12 ' A' ' 12' ' ' LEU . 24.5 mt -86.9 -29.12 22.37 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 112.362 -2.199 . . . . 0.0 109.778 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.56 -31.17 36.94 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 111.657 -2.519 . . . . 0.0 110.476 177.162 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.77 -20.69 59.7 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 113.425 -1.716 . . . . 0.0 111.613 -177.182 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.86 HD12 ' HA ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -58.17 -20.99 45.25 Favored 'General case' 0 CA--C 1.556 1.205 0 O-C-N 125.143 1.527 . . . . 0.0 110.923 169.246 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 124.9 3.92 7.44 Favored Glycine 0 C--N 1.358 1.794 0 O-C-N 124.598 1.186 . . . . 0.0 113.121 174.122 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.633 ' HB3' HD11 ' A' ' 18' ' ' LEU . 99.4 m-85 -101.05 162.33 20.92 Favored Pre-proline 0 C--O 1.256 1.412 0 CA-C-N 114.558 -0.821 . . . . 0.0 110.542 -172.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -80.75 140.91 13.26 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 124.666 3.577 . . . . 0.0 112.392 172.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -50.45 -21.34 1.43 Allowed 'General case' 0 CA--C 1.552 1.041 0 O-C-N 124.51 1.131 . . . . 0.0 113.104 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.77 -43.53 72.0 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 114.714 -1.13 . . . . 0.0 111.87 -174.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.691 HD12 ' N ' ' A' ' 19' ' ' VAL . 1.2 pp -79.4 -22.33 44.46 Favored 'General case' 0 C--N 1.36 1.06 0 O-C-N 124.694 1.246 . . . . 0.0 111.085 175.791 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.691 ' N ' HD12 ' A' ' 18' ' ' LEU . 16.1 t -64.2 -52.54 54.64 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.604 0 O-C-N 125.362 1.664 . . . . 0.0 109.758 -174.632 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -49.77 -56.84 2.65 Favored 'Isoleucine or valine' 0 C--N 1.35 0.613 0 CA-C-N 112.093 -2.321 . . . . 0.0 111.336 179.633 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -76.78 -20.29 56.62 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 112.817 -1.992 . . . . 0.0 111.132 -173.456 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.4 -19.55 38.89 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 124.617 1.198 . . . . 0.0 111.901 178.492 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.73 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -84.83 -57.15 3.23 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 124.521 1.138 . . . . 0.0 108.46 178.806 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -61.13 -33.33 73.21 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 111.422 -2.627 . . . . 0.0 111.896 -178.321 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.15 -36.43 77.41 Favored 'General case' 0 C--N 1.359 1.016 0 O-C-N 123.983 0.802 . . . . 0.0 110.939 174.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.34 3.88 37.74 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 114.03 -1.441 . . . . 0.0 112.266 177.665 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 59.17 62.32 1.86 Allowed 'General case' 0 C--N 1.361 1.106 0 O-C-N 124.247 0.967 . . . . 0.0 111.49 -175.543 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.451 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 4.5 mptt 27.65 46.31 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.076 0 CA-C-N 112.342 -2.208 . . . . 0.0 114.602 176.173 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -85.94 -17.3 35.83 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 113.183 -1.826 . . . . 0.0 112.13 -165.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . 0.281 1.0 OUTLIER 85.59 -67.77 0.03 OUTLIER 'General case' 0 C--N 1.35 0.62 0 O-C-N 125.641 1.838 . . . . 0.0 111.289 173.458 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -65.18 -45.84 83.22 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 112.903 -1.953 . . . . 0.0 111.105 175.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.9 tp -67.8 -29.43 68.6 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 125.044 1.465 . . . . 0.0 111.867 -178.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.706 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -72.15 -37.75 69.34 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 112.913 -1.949 . . . . 0.0 112.038 177.059 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.71 12.91 0.91 Allowed 'General case' 0 CA--C 1.547 0.847 0 O-C-N 124.555 1.159 . . . . 0.0 111.755 173.189 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -119.52 -25.87 5.9 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 113.911 -1.495 . . . . 0.0 109.288 172.172 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -88.98 -15.49 34.07 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-O 122.144 0.973 . . . . 0.0 111.301 178.144 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.706 HD12 ' O ' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -92.11 -39.81 11.39 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 113.118 -1.856 . . . . 0.0 110.105 179.328 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.839 HD21 HD22 ' A' ' 12' ' ' LEU . 6.7 mt . . . . . 0 C--N 1.352 0.715 0 CA-C-N 113.673 -1.603 . . . . 0.0 112.112 -172.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.453 ' HB1' HD11 ' A' ' 9' ' ' LEU . . . . . . . . 0 N--CA 1.439 -0.998 0 N-CA-C 110.525 -0.176 . . . . 0.0 110.525 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.449 ' HA ' HG11 ' A' ' 19' ' ' VAL . 3.8 mm -62.78 -15.4 15.25 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.026 0 C-N-CA 118.98 -1.088 . . . . 0.0 111.949 -174.516 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -106.13 -27.21 11.23 Favored 'General case' 0 C--N 1.36 1.035 0 O-C-N 124.878 1.361 . . . . 0.0 111.812 176.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -21.83 42.75 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 124.661 1.225 . . . . 0.0 111.508 -178.225 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.831 ' HA ' HD12 ' A' ' 12' ' ' LEU . 19.7 mt -89.38 -30.92 18.02 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-N 113.221 -1.809 . . . . 0.0 109.44 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.81 -31.76 51.95 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 111.234 -2.712 . . . . 0.0 110.365 176.022 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.11 -22.96 57.89 Favored 'General case' 0 C--N 1.358 0.971 0 CA-C-N 113.501 -1.681 . . . . 0.0 111.817 -176.234 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.831 HD12 ' HA ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -56.38 -21.49 25.12 Favored 'General case' 0 CA--C 1.554 1.13 0 O-C-N 125.225 1.578 . . . . 0.0 111.136 169.331 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 122.43 3.71 9.35 Favored Glycine 0 C--N 1.357 1.724 0 O-C-N 124.752 1.283 . . . . 0.0 112.828 175.039 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.601 ' HB3' HD11 ' A' ' 18' ' ' LEU . 99.4 m-85 -97.78 162.69 21.48 Favored Pre-proline 0 C--O 1.261 1.686 0 CA-C-N 114.215 -0.993 . . . . 0.0 110.809 -174.762 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -81.22 140.99 12.61 Favored 'Trans proline' 0 CA--C 1.543 0.948 0 C-N-CA 125.141 3.894 . . . . 0.0 112.287 173.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -51.7 -18.62 1.26 Allowed 'General case' 0 CA--C 1.556 1.185 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -41.99 80.47 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 114.571 -1.195 . . . . 0.0 112.135 -176.081 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.797 HD12 ' N ' ' A' ' 19' ' ' VAL . 0.3 OUTLIER -76.23 -25.8 55.43 Favored 'General case' 0 C--N 1.358 0.972 0 O-C-N 124.598 1.186 . . . . 0.0 110.727 175.819 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.797 ' N ' HD12 ' A' ' 18' ' ' LEU . 5.9 t -65.19 -49.91 76.65 Favored 'Isoleucine or valine' 0 C--N 1.35 0.622 0 O-C-N 125.799 1.937 . . . . 0.0 109.13 -168.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -51.3 -54.92 9.55 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 CA-C-N 111.787 -2.461 . . . . 0.0 110.459 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -86.25 2.27 47.75 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 125.29 1.619 . . . . 0.0 112.549 -173.202 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -107.47 -13.91 14.97 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 124.416 1.072 . . . . 0.0 112.055 176.551 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.784 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -96.43 -48.33 5.61 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 124.955 1.409 . . . . 0.0 108.212 173.634 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -66.63 -38.75 87.58 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 126.308 2.255 . . . . 0.0 110.961 -176.581 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.21 -25.24 61.58 Favored 'General case' 0 C--N 1.359 0.979 0 O-C-N 124.58 1.175 . . . . 0.0 111.301 176.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.839 ' SG ' HD22 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -89.92 1.97 55.61 Favored 'General case' 0 C--N 1.352 0.717 0 O-C-N 125.015 1.447 . . . . 0.0 112.754 176.719 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 67.37 70.49 0.36 Allowed 'General case' 0 C--N 1.36 1.022 0 O-C-N 124.698 1.249 . . . . 0.0 110.907 -175.273 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 36.85 32.68 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.162 0 O-C-N 125.228 1.58 . . . . 0.0 113.526 177.637 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.516 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.7 OUTLIER -92.52 151.07 20.38 Favored 'General case' 0 C--O 1.215 -0.747 0 CA-C-N 114.612 -1.176 . . . . 0.0 108.118 -170.169 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.01 -51.25 4.52 Favored 'General case' 0 C--O 1.22 -0.466 0 O-C-N 125.417 1.698 . . . . 0.0 110.667 -174.011 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -68.53 -48.03 65.38 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 112.563 -2.108 . . . . 0.0 110.585 -178.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.839 HD22 ' SG ' ' A' ' 26' ' ' CYS . 0.5 OUTLIER -66.11 -35.18 79.82 Favored 'General case' 0 C--N 1.355 0.846 0 O-C-N 125.375 1.672 . . . . 0.0 110.507 -178.681 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.643 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -66.55 -40.15 88.9 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-N 114.093 -1.412 . . . . 0.0 112.666 178.8 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.61 9.29 1.46 Allowed 'General case' 0 CA--C 1.544 0.742 0 O-C-N 125.121 1.513 . . . . 0.0 111.781 175.075 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -113.79 -31.31 6.48 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 113.962 -1.472 . . . . 0.0 109.591 172.635 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -84.19 -9.0 58.9 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-O 121.985 0.898 . . . . 0.0 111.449 176.424 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.763 HD13 HD22 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -102.47 -34.88 8.97 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 113.542 -1.663 . . . . 0.0 110.438 179.428 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.758 HD21 HD22 ' A' ' 12' ' ' LEU . 8.4 mt . . . . . 0 C--N 1.354 0.787 0 O-C-N 125.309 1.631 . . . . 0.0 112.489 -169.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.798 0 CA-C-O 119.162 -0.447 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.412 ' HA ' ' CG1' ' A' ' 19' ' ' VAL . 11.6 mt -64.37 -8.16 4.51 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.124 0 C-N-CA 118.506 -1.278 . . . . 0.0 111.7 -177.481 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.12 -24.78 11.83 Favored 'General case' 0 C--N 1.357 0.911 0 O-C-N 123.959 0.787 . . . . 0.0 111.664 173.733 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.69 -19.8 37.38 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 124.591 1.182 . . . . 0.0 111.892 -178.499 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.916 ' HA ' HD12 ' A' ' 12' ' ' LEU . 15.6 mt -93.29 -28.82 15.99 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 113.021 -1.899 . . . . 0.0 108.627 -179.675 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.64 -32.32 41.64 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 111.959 -2.382 . . . . 0.0 110.063 176.132 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.91 -18.32 56.25 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 113.251 -1.795 . . . . 0.0 111.941 -177.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.916 HD12 ' HA ' ' A' ' 9' ' ' LEU . 1.9 mt -56.66 -21.23 25.96 Favored 'General case' 0 CA--C 1.551 0.988 0 O-C-N 124.854 1.347 . . . . 0.0 110.922 167.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 127.14 -0.59 7.1 Favored Glycine 0 C--N 1.358 1.791 0 O-C-N 125.153 1.533 . . . . 0.0 112.448 175.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.468 ' HB3' HD11 ' A' ' 18' ' ' LEU . 12.4 m-30 -102.14 162.06 21.48 Favored Pre-proline 0 C--O 1.251 1.132 0 CA-C-N 113.774 -1.213 . . . . 0.0 110.314 -165.626 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.563 ' O ' HG23 ' A' ' 19' ' ' VAL . 72.5 Cg_endo -79.54 149.78 21.48 Favored 'Trans proline' 0 CA--C 1.538 0.68 0 C-N-CA 124.202 3.268 . . . . 0.0 113.426 176.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.11 -19.53 33.06 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 124.606 1.191 . . . . 0.0 113.57 -178.71 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 t -76.81 -39.3 51.87 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 113.956 -1.474 . . . . 0.0 111.606 -173.202 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.579 HD13 HD23 ' A' ' 37' ' ' LEU . 1.1 pp -80.99 -22.01 39.83 Favored 'General case' 0 C--N 1.36 1.061 0 O-C-N 124.653 1.221 . . . . 0.0 111.216 176.725 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 15' ' ' PRO . 18.7 t -66.32 -52.19 50.09 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 O-C-N 125.659 1.849 . . . . 0.0 110.428 -176.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.51 HD13 ' CE1' ' A' ' 24' ' ' PHE . 0.4 OUTLIER -53.71 -56.42 8.98 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 CA-C-N 112.323 -2.217 . . . . 0.0 110.676 -178.329 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -73.73 -17.08 61.16 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 113.922 -1.49 . . . . 0.0 111.956 -177.112 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.46 -29.82 37.48 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 124.274 0.984 . . . . 0.0 112.193 177.073 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.701 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -77.88 -48.0 17.42 Favored 'General case' 0 C--N 1.35 0.589 0 C-N-CA 119.029 -1.068 . . . . 0.0 108.933 179.626 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.51 ' CE1' HD13 ' A' ' 20' ' ' ILE . 2.8 m-85 -64.58 -38.22 90.26 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 111.521 -2.581 . . . . 0.0 111.031 -176.667 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.32 -29.65 65.27 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.373 176.477 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.679 ' SG ' HD13 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -93.1 16.56 12.61 Favored 'General case' 0 C--N 1.353 0.718 0 O-C-N 124.887 1.367 . . . . 0.0 112.226 177.299 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 58.7 73.38 0.48 Allowed 'General case' 0 C--N 1.357 0.897 0 CA-C-O 122.103 0.954 . . . . 0.0 110.548 -177.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 30.68 42.43 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.1 0 CA-C-N 112.144 -2.298 . . . . 0.0 115.324 174.293 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -111.16 146.95 35.96 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-N 114.725 -1.125 . . . . 0.0 108.697 -167.346 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.61 -49.58 7.43 Favored 'General case' 0 C--O 1.22 -0.467 0 O-C-N 125.217 1.573 . . . . 0.0 110.49 -172.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.47 -45.79 68.18 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 112.409 -2.178 . . . . 0.0 110.998 179.279 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.679 HD13 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -67.84 -36.55 80.54 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 125.391 1.682 . . . . 0.0 109.923 -176.539 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.719 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -66.01 -39.98 90.71 Favored 'General case' 0 C--N 1.357 0.928 0 O-C-N 124.483 1.114 . . . . 0.0 112.245 178.526 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.81 10.27 0.92 Allowed 'General case' 0 CA--C 1.552 1.049 0 O-C-N 124.669 1.23 . . . . 0.0 112.398 174.299 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -116.58 -29.42 6.13 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 113.982 -1.463 . . . . 0.0 109.95 172.347 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.512 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 29.0 t80 -86.79 -12.31 48.43 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.734 178.038 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.719 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.4 mt -95.11 -47.95 6.16 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 113.247 -1.797 . . . . 0.0 108.966 179.423 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.534 HD21 HD22 ' A' ' 12' ' ' LEU . 7.4 mt . . . . . 0 C--N 1.35 0.628 0 CA-C-N 113.439 -1.71 . . . . 0.0 112.551 -172.258 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.55 0 CA-C-O 118.969 -0.539 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.433 ' HA ' HG11 ' A' ' 19' ' ' VAL . 10.2 mt -70.81 -9.77 13.12 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 C-N-CA 118.517 -1.273 . . . . 0.0 111.737 -173.564 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -98.7 -27.94 13.75 Favored 'General case' 0 C--N 1.357 0.909 0 O-C-N 123.978 0.799 . . . . 0.0 111.398 174.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.56 -41.0 22.24 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 124.841 1.338 . . . . 0.0 110.928 -174.093 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.755 HD11 ' CD1' ' A' ' 23' ' ' TYR . 34.0 mt -60.13 -33.12 71.7 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 111.549 -2.569 . . . . 0.0 110.736 171.002 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.3 -31.67 29.87 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 112.007 -2.36 . . . . 0.0 110.531 177.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.28 -17.7 59.33 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 114.02 -1.446 . . . . 0.0 111.38 -176.308 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.724 HD22 HD21 ' A' ' 38' ' ' LEU . 0.6 OUTLIER -60.29 -19.74 56.29 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 113.692 -1.594 . . . . 0.0 111.15 169.762 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 125.42 6.24 6.27 Favored Glycine 0 CA--C 1.542 1.751 0 O-C-N 124.851 1.344 . . . . 0.0 112.543 174.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.959 ' HB3' HD11 ' A' ' 18' ' ' LEU . 54.4 m-85 -104.39 163.43 17.28 Favored Pre-proline 0 C--O 1.249 1.048 0 CA-C-N 114.649 -0.775 . . . . 0.0 108.925 -170.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.615 ' O ' HG23 ' A' ' 19' ' ' VAL . 88.9 Cg_endo -87.61 154.96 7.65 Favored 'Trans proline' 0 CA--C 1.545 1.052 1 C-N-CA 125.497 4.132 . . . . 0.0 112.534 171.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -57.96 -11.25 2.26 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.45 -45.5 22.01 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 124.076 0.86 . . . . 0.0 111.941 -173.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.959 HD11 ' HB3' ' A' ' 14' ' ' PHE . 3.7 pp -81.66 -23.19 37.05 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-N 114.266 -1.334 . . . . 0.0 110.398 177.339 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 15' ' ' PRO . 40.8 t -60.99 -53.42 49.38 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 O-C-N 125.282 1.614 . . . . 0.0 110.554 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.472 HD13 ' CE1' ' A' ' 24' ' ' PHE . 0.4 OUTLIER -52.44 -55.75 9.6 Favored 'Isoleucine or valine' 0 C--N 1.352 0.712 0 O-C-N 125.862 1.976 . . . . 0.0 110.527 -178.419 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.06 -14.88 59.76 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 113.022 -1.899 . . . . 0.0 111.441 -173.684 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.97 -25.28 27.87 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 124.353 1.033 . . . . 0.0 112.017 178.239 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.755 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -82.52 -50.38 8.89 Favored 'General case' 0 C--N 1.349 0.578 0 O-C-N 124.41 1.069 . . . . 0.0 108.344 178.224 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.472 ' CE1' HD13 ' A' ' 20' ' ' ILE . 4.6 m-85 -63.05 -38.67 92.1 Favored 'General case' 0 CA--C 1.55 0.979 0 CA-C-N 111.923 -2.399 . . . . 0.0 111.371 -177.696 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.69 -28.74 64.99 Favored 'General case' 0 C--N 1.358 0.97 0 O-C-N 124.104 0.878 . . . . 0.0 111.431 176.705 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.554 ' SG ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -93.5 9.74 35.35 Favored 'General case' 0 C--N 1.353 0.723 0 O-C-N 124.775 1.297 . . . . 0.0 112.29 178.723 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 63.87 72.28 0.47 Allowed 'General case' 0 C--N 1.361 1.107 0 O-C-N 124.315 1.009 . . . . 0.0 110.183 -176.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 32.46 38.38 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 112.691 -2.05 . . . . 0.0 114.799 176.373 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.446 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -100.77 147.23 26.28 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-N 113.96 -1.473 . . . . 0.0 108.552 -168.906 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.56 -52.02 5.38 Favored 'General case' 0 C--O 1.219 -0.505 0 O-C-N 125.447 1.717 . . . . 0.0 109.738 -173.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -68.12 -45.81 72.62 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 112.963 -1.926 . . . . 0.0 110.961 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.554 HD12 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -68.57 -32.99 73.3 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 125.203 1.564 . . . . 0.0 110.568 -176.521 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.669 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -69.33 -37.7 77.84 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 114.418 -1.265 . . . . 0.0 111.85 177.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.74 10.85 1.22 Allowed 'General case' 0 CA--C 1.549 0.929 0 O-C-N 124.803 1.315 . . . . 0.0 112.058 174.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -118.9 -27.98 5.66 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 114.258 -1.337 . . . . 0.0 109.468 173.276 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -84.0 -17.43 40.51 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 119.504 -0.878 . . . . 0.0 111.019 175.623 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.674 ' CD1' HD22 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -92.5 -40.91 10.56 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 113.56 -1.655 . . . . 0.0 110.243 179.288 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.724 HD21 HD22 ' A' ' 12' ' ' LEU . 7.5 mt . . . . . 0 C--N 1.352 0.694 0 O-C-N 125.097 1.498 . . . . 0.0 112.31 -170.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.211 -0.922 0 CA-C-O 119.147 -0.454 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 16.1 mt -58.16 -43.27 85.23 Favored 'Isoleucine or valine' 0 C--N 1.354 0.797 0 C-N-CA 118.927 -1.109 . . . . 0.0 111.293 -176.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -76.01 -25.97 56.22 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 119.129 -1.028 . . . . 0.0 111.676 178.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.7 -21.89 40.84 Favored 'General case' 0 C--N 1.346 0.436 0 CA-C-N 114.388 -1.278 . . . . 0.0 111.442 -176.368 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.768 ' HA ' HD12 ' A' ' 12' ' ' LEU . 15.4 mt -88.55 -31.53 18.61 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 113.214 -1.812 . . . . 0.0 107.753 178.169 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -34.67 65.66 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 112.836 -1.984 . . . . 0.0 109.814 176.053 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.04 -22.41 61.39 Favored 'General case' 0 C--N 1.348 0.534 0 CA-C-N 113.931 -1.486 . . . . 0.0 112.029 -174.444 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.768 HD12 ' HA ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -56.21 -24.44 42.1 Favored 'General case' 0 CA--C 1.554 1.116 0 O-C-N 124.832 1.332 . . . . 0.0 111.361 169.386 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 131.54 -0.91 5.16 Favored Glycine 0 CA--C 1.542 1.735 0 O-C-N 124.744 1.277 . . . . 0.0 113.048 175.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.581 ' HB3' HD11 ' A' ' 18' ' ' LEU . 61.8 m-85 -95.14 164.01 20.36 Favored Pre-proline 0 C--N 1.348 0.514 0 O-C-N 124.127 0.545 . . . . 0.0 110.422 -174.271 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.596 ' O ' HG23 ' A' ' 19' ' ' VAL . 96.5 Cg_endo -82.47 149.51 14.77 Favored 'Trans proline' 0 C--N 1.358 1.071 0 C-N-CA 123.525 2.817 . . . . 0.0 112.472 170.261 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -57.49 -16.79 10.67 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 124.603 1.19 . . . . 0.0 113.051 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.42 -41.01 49.13 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.832 -175.156 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.581 HD11 ' HB3' ' A' ' 14' ' ' PHE . 1.5 pp -82.96 -20.34 35.43 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 124.28 0.988 . . . . 0.0 111.044 176.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 15' ' ' PRO . 24.6 t -68.51 -51.51 45.93 Favored 'Isoleucine or valine' 0 C--N 1.346 0.454 0 CA-C-N 113.708 -1.587 . . . . 0.0 109.283 -177.386 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.449 HD13 ' CE1' ' A' ' 24' ' ' PHE . 0.4 OUTLIER -53.74 -54.29 20.52 Favored 'Isoleucine or valine' 0 C--N 1.348 0.537 0 CA-C-N 113.094 -1.867 . . . . 0.0 110.973 -177.895 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -72.53 -18.04 61.68 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 113.085 -1.871 . . . . 0.0 110.848 -176.68 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.93 -51.92 14.55 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 117.967 -1.493 . . . . 0.0 111.194 177.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.746 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -61.26 -49.49 76.85 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.803 -178.317 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.449 ' CE1' HD13 ' A' ' 20' ' ' ILE . 2.9 m-85 -62.52 -39.66 94.28 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 112.615 -2.084 . . . . 0.0 110.937 -177.117 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.79 -30.25 66.67 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.722 175.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.509 ' SG ' HD12 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -90.35 9.71 27.82 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 124.537 1.148 . . . . 0.0 112.105 179.032 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 61.41 77.91 0.31 Allowed 'General case' 0 C--N 1.357 0.902 0 O-C-N 124.384 1.053 . . . . 0.0 109.945 -174.431 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 27.83 47.11 0.02 OUTLIER 'General case' 0 CA--C 1.56 1.345 0 CA-C-N 112.617 -2.083 . . . . 0.0 114.788 176.378 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.425 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.7 OUTLIER -111.95 144.26 41.59 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-N 114.542 -1.208 . . . . 0.0 108.834 -167.542 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.93 -51.47 6.69 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 125.574 1.796 . . . . 0.0 110.492 -175.605 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -68.77 -45.56 71.06 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 125.543 1.777 . . . . 0.0 110.717 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.509 HD12 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -68.98 -32.09 71.41 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 124.897 1.373 . . . . 0.0 110.59 -177.037 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.709 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -68.93 -36.95 78.57 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 114.639 -1.164 . . . . 0.0 111.714 176.809 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.44 12.54 0.96 Allowed 'General case' 0 CA--C 1.549 0.925 0 O-C-N 124.542 1.151 . . . . 0.0 112.2 172.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -118.7 -26.7 6.04 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 114.452 -1.249 . . . . 0.0 109.582 173.32 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -88.75 -15.44 34.71 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.839 175.171 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.725 HD13 HD22 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -93.96 -35.77 12.49 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 114.219 -1.355 . . . . 0.0 109.7 178.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.575 HD21 HD22 ' A' ' 12' ' ' LEU . 4.3 mt . . . . . 0 C--N 1.349 0.549 0 O-C-N 124.86 1.35 . . . . 0.0 111.181 -170.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.404 ' CB ' ' CZ ' ' A' ' 23' ' ' TYR . . . . . . . . 0 N--CA 1.446 -0.658 0 CA-C-O 119.315 -0.374 . . . . 0.0 110.714 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 mm -65.9 -11.54 12.68 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.187 0 C-N-CA 119.021 -1.072 . . . . 0.0 111.477 -173.27 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -105.51 -27.59 11.32 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 114.623 -1.171 . . . . 0.0 111.255 176.355 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.95 -21.14 40.64 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 124.617 1.198 . . . . 0.0 111.526 -179.099 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.895 ' HA ' HD12 ' A' ' 12' ' ' LEU . 16.8 mt -89.41 -29.15 19.27 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 113.326 -1.761 . . . . 0.0 108.726 179.194 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.47 -33.84 41.94 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 111.968 -2.378 . . . . 0.0 110.254 177.693 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.34 -21.17 56.47 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 113.028 -1.897 . . . . 0.0 111.665 -176.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.895 HD12 ' HA ' ' A' ' 9' ' ' LEU . 2.5 mt -57.02 -21.89 34.42 Favored 'General case' 0 CA--C 1.555 1.158 0 O-C-N 125.075 1.484 . . . . 0.0 110.908 169.564 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.49 -3.91 6.64 Favored Glycine 0 CA--C 1.544 1.857 0 O-C-N 124.659 1.224 . . . . 0.0 113.124 175.245 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.591 ' HB3' HD11 ' A' ' 18' ' ' LEU . 94.5 m-85 -95.27 160.99 29.51 Favored Pre-proline 0 C--O 1.215 -0.752 0 CA-C-N 114.383 -0.908 . . . . 0.0 109.536 -172.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.639 ' O ' HG23 ' A' ' 19' ' ' VAL . 72.5 Cg_endo -78.24 151.38 26.52 Favored 'Trans proline' 0 C--N 1.369 1.636 0 C-N-CA 123.151 2.567 . . . . 0.0 113.19 173.64 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.09 -21.54 46.51 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 124.509 1.131 . . . . 0.0 113.429 -178.421 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -76.2 -38.64 56.25 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 113.312 -1.767 . . . . 0.0 111.575 -172.349 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.591 HD11 ' HB3' ' A' ' 14' ' ' PHE . 1.2 pp -82.28 -21.23 36.27 Favored 'General case' 0 C--N 1.357 0.921 0 O-C-N 124.68 1.237 . . . . 0.0 110.986 176.727 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 15' ' ' PRO . 37.9 t -65.73 -52.07 54.54 Favored 'Isoleucine or valine' 0 C--N 1.348 0.535 0 O-C-N 125.622 1.827 . . . . 0.0 110.111 -177.068 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -51.67 -53.36 17.07 Favored 'Isoleucine or valine' 0 C--N 1.348 0.538 0 O-C-N 125.967 2.042 . . . . 0.0 110.656 -177.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.59 -14.65 58.02 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-N 112.619 -2.082 . . . . 0.0 111.458 -173.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.45 -24.12 29.64 Favored 'General case' 0 C--N 1.351 0.643 0 O-C-N 124.45 1.094 . . . . 0.0 111.703 176.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.733 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -83.11 -51.51 7.46 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 124.629 1.206 . . . . 0.0 108.487 178.789 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -65.58 -34.44 78.24 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 112.313 -2.221 . . . . 0.0 111.956 -178.554 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.72 -28.94 65.1 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 124.177 0.923 . . . . 0.0 111.199 173.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.658 ' SG ' HD23 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -88.95 -1.47 58.12 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 124.714 1.259 . . . . 0.0 112.192 176.042 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 61.57 66.49 0.85 Allowed 'General case' 0 C--N 1.357 0.899 0 O-C-N 124.373 1.045 . . . . 0.0 111.308 -174.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 31.12 42.46 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 113.3 -1.773 . . . . 0.0 114.015 175.092 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.478 HD21 ' HA ' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -86.89 -17.96 32.01 Favored 'General case' 0 C--N 1.348 0.515 0 CA-C-N 113.326 -1.761 . . . . 0.0 111.159 -164.669 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . 0.298 0.5 OUTLIER 84.64 -73.24 0.03 OUTLIER 'General case' 0 C--N 1.346 0.423 0 O-C-N 125.52 1.763 . . . . 0.0 111.075 172.516 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -62.83 -45.02 94.55 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 125.981 2.051 . . . . 0.0 111.241 176.513 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.658 HD23 ' SG ' ' A' ' 26' ' ' CYS . 2.2 tp -66.44 -30.33 70.66 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 125.145 1.528 . . . . 0.0 111.328 -178.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.713 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -71.57 -37.78 71.02 Favored 'General case' 0 C--N 1.349 0.58 0 CA-C-N 113.272 -1.785 . . . . 0.0 111.554 179.197 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.3 11.74 1.44 Allowed 'General case' 0 CA--C 1.548 0.898 0 O-C-N 124.811 1.32 . . . . 0.0 111.713 173.019 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -118.58 -24.94 6.58 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 114.299 -1.319 . . . . 0.0 109.709 173.772 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -87.7 -20.67 25.94 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 114.834 -1.076 . . . . 0.0 110.02 174.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.823 HD13 HD22 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -88.66 -39.49 13.99 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 114.468 -1.242 . . . . 0.0 110.263 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.423 HD21 HD22 ' A' ' 12' ' ' LEU . 5.4 mt . . . . . 0 C--N 1.348 0.512 0 O-C-N 125.259 1.6 . . . . 0.0 111.651 -169.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.501 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -126.16 9.88 7.42 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 124.641 1.213 . . . . 0.0 111.529 -178.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -17.76 63.99 Favored 'General case' 0 C--N 1.353 0.729 0 O-C-N 124.824 1.327 . . . . 0.0 112.716 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.99 -21.56 66.41 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-N 113.871 -1.513 . . . . 0.0 111.379 179.131 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.437 ' HB1' HD11 ' A' ' 9' ' ' LEU . . . -92.66 -29.28 16.18 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-N 112.985 -1.916 . . . . 0.0 110.557 176.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.5 mm -63.67 -12.16 10.52 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.113 0 C-N-CA 119.387 -0.925 . . . . 0.0 111.722 -173.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -106.91 -28.36 10.13 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 114.531 -1.213 . . . . 0.0 111.266 177.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.12 -21.48 43.17 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 124.464 1.102 . . . . 0.0 111.67 -179.201 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.818 ' HA ' HD12 ' A' ' 12' ' ' LEU . 22.9 mt -89.16 -31.2 18.08 Favored 'General case' 0 C--N 1.346 0.452 0 CA-C-N 113.273 -1.785 . . . . 0.0 108.873 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.59 -31.88 47.35 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 111.436 -2.62 . . . . 0.0 110.169 176.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.94 -21.29 57.19 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 114.214 -1.357 . . . . 0.0 111.819 -176.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.818 HD12 ' HA ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -56.08 -22.85 30.17 Favored 'General case' 0 CA--C 1.555 1.146 0 O-C-N 125.056 1.473 . . . . 0.0 111.053 169.298 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.74 6.46 8.58 Favored Glycine 0 CA--C 1.539 1.575 0 O-C-N 124.699 1.249 . . . . 0.0 112.911 175.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.631 ' HB3' HD11 ' A' ' 18' ' ' LEU . 86.9 m-85 -98.03 162.8 20.93 Favored Pre-proline 0 C--N 1.347 0.474 0 O-C-N 124.423 0.719 . . . . 0.0 110.648 -175.173 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -78.57 141.36 17.53 Favored 'Trans proline' 0 C--N 1.359 1.117 0 C-N-CA 123.386 2.724 . . . . 0.0 113.076 173.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.43 -20.13 2.64 Favored 'General case' 0 CA--C 1.551 0.983 0 O-C-N 124.485 1.116 . . . . 0.0 113.809 -178.348 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 t -72.09 -38.63 69.33 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 113.998 -1.456 . . . . 0.0 111.663 -175.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.778 HD12 ' N ' ' A' ' 19' ' ' VAL . 0.3 OUTLIER -76.83 -26.06 53.93 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 118.757 -1.177 . . . . 0.0 111.176 173.896 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.778 ' N ' HD12 ' A' ' 18' ' ' LEU . 37.2 t -65.84 -51.57 59.95 Favored 'Isoleucine or valine' 0 C--N 1.353 0.742 0 O-C-N 125.473 1.733 . . . . 0.0 109.197 -168.703 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -50.97 -53.12 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 111.556 -2.566 . . . . 0.0 111.4 178.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -86.83 -3.06 59.02 Favored 'General case' 0 C--O 1.218 -0.569 0 O-C-N 125.656 1.848 . . . . 0.0 112.095 -172.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.21 -18.25 19.37 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 124.558 1.161 . . . . 0.0 110.819 173.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.701 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.2 t80 -88.96 -59.07 2.33 Favored 'General case' 0 C--N 1.347 0.475 0 O-C-N 124.329 1.018 . . . . 0.0 108.371 177.59 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -57.88 -34.16 69.48 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 112.702 -2.045 . . . . 0.0 112.506 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.54 -34.02 65.0 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 119.546 -0.861 . . . . 0.0 111.171 177.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.612 ' SG ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -88.58 15.07 8.59 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.648 1.218 . . . . 0.0 112.016 179.237 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 61.63 69.04 0.67 Allowed 'General case' 0 C--N 1.358 0.974 0 CA-C-O 121.894 0.854 . . . . 0.0 110.134 -174.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.465 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 26.45 45.66 0.01 OUTLIER 'General case' 0 CA--C 1.565 1.536 0 CA-C-N 113.268 -1.787 . . . . 0.0 114.431 176.357 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -107.44 140.48 40.33 Favored 'General case' 0 C--O 1.212 -0.914 0 CA-C-N 114.075 -1.421 . . . . 0.0 108.527 -167.329 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.8 -58.11 3.96 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 124.834 1.334 . . . . 0.0 111.058 -177.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.17 -46.57 80.3 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 113.886 -1.506 . . . . 0.0 111.42 -174.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.612 HD23 ' SG ' ' A' ' 26' ' ' CYS . 3.8 tp -67.13 -31.32 71.69 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 113.474 -1.694 . . . . 0.0 111.707 -177.381 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.682 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -72.03 -37.44 69.75 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 124.87 1.356 . . . . 0.0 111.901 176.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.54 9.44 1.76 Allowed 'General case' 0 CA--C 1.548 0.897 0 O-C-N 124.521 1.138 . . . . 0.0 112.022 173.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -113.93 -30.97 6.55 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 114.167 -1.379 . . . . 0.0 109.105 171.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -78.69 -21.14 48.64 Favored 'General case' 0 CA--C 1.557 1.245 0 CA-C-O 123.177 1.465 . . . . 0.0 109.966 175.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.688 ' CD1' HD22 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -92.32 -36.56 13.12 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 113.771 -1.559 . . . . 0.0 110.512 -176.726 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.595 HD21 HD22 ' A' ' 12' ' ' LEU . 6.2 mt -111.37 -7.71 14.36 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 125.114 1.509 . . . . 0.0 111.25 -168.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.39 -10.43 7.46 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 124.617 1.198 . . . . 0.0 111.557 -178.107 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -106.05 29.1 7.01 Favored 'General case' 0 C--N 1.355 0.824 0 O-C-N 124.348 1.03 . . . . 0.0 110.666 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -47.08 -50.15 20.35 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 124.764 1.29 . . . . 0.0 112.943 -179.416 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -52.99 91.07 0.01 OUTLIER 'General case' 0 C--N 1.358 0.936 0 O-C-N 125.723 1.89 . . . . 0.0 111.374 174.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 175.79 134.29 0.05 OUTLIER 'General case' 0 C--N 1.349 0.572 0 CA-C-N 112.547 -2.115 . . . . 0.0 108.087 -176.392 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.441 ' O ' ' O ' ' A' ' 45' ' ' GLU . 0.3 OUTLIER -117.72 149.6 40.49 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 112.722 -2.036 . . . . 0.0 106.933 175.511 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.441 ' O ' ' O ' ' A' ' 44' ' ' ASP . 11.4 pt-20 . . . . . 0 C--O 1.277 2.521 1 CA-C-O 108.335 -5.602 . . . . 0.0 113.181 177.377 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 CA--C 1.534 0.341 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 85.52 -4.62 0.86 Allowed 'General case' 0 C--N 1.348 0.504 0 CA-C-N 113.194 -1.821 . . . . 0.0 113.066 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.407 ' HA ' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -57.88 -18.92 25.78 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 124.909 1.381 . . . . 0.0 113.56 178.069 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.66 -38.63 87.24 Favored 'General case' 0 C--N 1.35 0.598 0 O-C-N 124.768 1.293 . . . . 0.0 111.313 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.31 -27.07 56.43 Favored 'General case' 0 C--O 1.213 -0.843 0 CA-C-N 113.578 -1.646 . . . . 0.0 110.02 174.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.414 HG22 ' HG2' ' A' ' 16' ' ' GLU . 14.3 mt -69.4 -9.18 11.76 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.024 0 C-N-CA 118.974 -1.091 . . . . 0.0 112.144 -172.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -105.14 -27.15 11.77 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 123.898 0.749 . . . . 0.0 110.955 174.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.04 -23.81 38.31 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 124.705 1.253 . . . . 0.0 111.021 -178.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.881 ' HA ' HD12 ' A' ' 12' ' ' LEU . 32.2 mt -84.4 -29.9 25.82 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 112.922 -1.945 . . . . 0.0 109.063 178.573 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.55 -31.23 37.01 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 112.117 -2.31 . . . . 0.0 110.04 178.383 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.64 -20.52 59.86 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 113.75 -1.568 . . . . 0.0 111.591 -176.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.881 HD12 ' HA ' ' A' ' 9' ' ' LEU . 1.5 mt -57.97 -21.41 44.34 Favored 'General case' 0 CA--C 1.556 1.187 0 O-C-N 125.054 1.471 . . . . 0.0 110.875 169.173 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 123.9 12.31 4.51 Favored Glycine 0 CA--C 1.546 2.007 0 O-C-N 124.473 1.108 . . . . 0.0 113.055 175.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.674 ' HB3' HD11 ' A' ' 18' ' ' LEU . 53.7 m-85 -107.9 161.02 24.72 Favored Pre-proline 0 CA--C 1.544 0.735 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 -172.055 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.592 ' O ' HG23 ' A' ' 19' ' ' VAL . 96.9 Cg_endo -84.64 148.76 11.21 Favored 'Trans proline' 0 CA--C 1.547 1.169 0 C-N-CA 124.932 3.754 . . . . 0.0 113.3 170.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.414 ' HG2' HG22 ' A' ' 6' ' ' ILE . 31.2 mt-10 -52.67 -17.85 1.51 Allowed 'General case' 0 C--N 1.361 1.093 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.82 -44.18 50.68 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 124.284 0.99 . . . . 0.0 112.103 -174.261 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.674 HD11 ' HB3' ' A' ' 14' ' ' PHE . 1.9 pp -83.5 -20.12 34.52 Favored 'General case' 0 C--N 1.355 0.814 0 O-C-N 124.417 1.073 . . . . 0.0 111.14 177.479 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 15' ' ' PRO . 21.1 t -66.79 -49.56 73.24 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 O-C-N 125.382 1.676 . . . . 0.0 110.014 -178.186 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -56.18 -54.04 32.24 Favored 'Isoleucine or valine' 0 C--N 1.351 0.641 0 CA-C-N 113.01 -1.905 . . . . 0.0 110.75 -177.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -71.95 -23.08 61.39 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 112.785 -2.007 . . . . 0.0 110.655 -177.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.68 -48.42 59.77 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 118.627 -1.229 . . . . 0.0 110.787 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.79 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -62.52 -50.91 69.5 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 124.502 1.126 . . . . 0.0 110.212 -178.392 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -62.53 -37.82 87.58 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 112.366 -2.197 . . . . 0.0 112.126 -177.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.77 -29.87 63.66 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 124.392 1.058 . . . . 0.0 110.977 176.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.565 ' SG ' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -91.57 8.89 34.47 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 124.935 1.397 . . . . 0.0 112.04 177.919 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 62.37 74.32 0.44 Allowed 'General case' 0 C--N 1.359 1.02 0 O-C-N 123.823 0.702 . . . . 0.0 111.067 -175.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.447 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 27.21 42.0 0.0 OUTLIER 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 126.119 1.768 . . . . 0.0 114.291 -179.842 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.462 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -102.13 149.23 24.49 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 114.836 -1.075 . . . . 0.0 108.188 -170.62 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.43 -54.6 4.1 Favored 'General case' 0 C--N 1.345 0.398 0 O-C-N 125.229 1.581 . . . . 0.0 110.36 -173.358 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -67.0 -45.82 76.42 Favored 'General case' 0 C--N 1.347 0.464 0 CA-C-N 113.348 -1.751 . . . . 0.0 110.928 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.565 HD23 ' SG ' ' A' ' 26' ' ' CYS . 3.7 tp -65.87 -32.68 74.33 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 125.206 1.566 . . . . 0.0 111.363 -177.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.692 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -71.25 -36.57 71.82 Favored 'General case' 0 C--N 1.354 0.804 0 O-C-N 125.135 1.522 . . . . 0.0 112.215 176.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.43 10.73 1.5 Allowed 'General case' 0 CA--C 1.549 0.931 0 O-C-N 124.541 1.151 . . . . 0.0 111.844 173.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -116.31 -30.43 5.93 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 113.951 -1.477 . . . . 0.0 109.277 172.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -79.89 -23.36 41.9 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-O 122.82 1.295 . . . . 0.0 109.272 175.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.692 HD12 ' O ' ' A' ' 33' ' ' ALA . 0.6 OUTLIER -86.21 -42.53 13.74 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 113.877 -1.51 . . . . 0.0 110.281 -178.701 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.558 HD11 HD22 ' A' ' 12' ' ' LEU . 6.8 mt -107.15 -5.1 18.19 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 113.719 -1.582 . . . . 0.0 112.47 -166.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.84 -8.09 6.1 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 124.408 1.068 . . . . 0.0 111.029 -179.06 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.16 61.85 0.61 Allowed 'General case' 0 C--N 1.357 0.915 0 CA-C-O 122.549 1.166 . . . . 0.0 108.776 178.101 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -149.42 -157.49 0.82 Allowed 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 112.278 -2.237 . . . . 0.0 107.028 176.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -150.95 146.11 26.04 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 105.994 -1.854 . . . . 0.0 105.994 -174.017 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -44.6 143.91 1.23 Allowed 'General case' 0 C--N 1.356 0.848 0 CA-C-N 113.692 -1.594 . . . . 0.0 110.866 175.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 45' ' ' GLU . 1.4 p30 -47.65 125.31 8.32 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 125.514 1.759 . . . . 0.0 111.893 177.321 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 44' ' ' ASP . 7.2 tt0 . . . . . 0 C--O 1.251 1.165 1 CA-C-O 107.262 -6.113 . . . . 0.0 111.041 -175.706 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 . . . . . 0 N--CA 1.456 -0.133 0 CA-C-O 122.454 1.121 . . . . 0.0 109.947 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 86.74 -23.04 0.15 Allowed 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 111.51 -2.586 . . . . 0.0 113.121 176.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -45.98 -26.72 0.76 Allowed 'General case' 0 C--N 1.357 0.933 0 C-N-CA 126.59 1.956 . . . . 0.0 114.115 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.04 -57.71 11.63 Favored 'General case' 0 C--N 1.347 0.487 0 O-C-N 125.065 1.478 . . . . 0.0 110.581 178.423 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.47 -29.2 68.58 Favored 'General case' 0 C--O 1.21 -0.987 0 CA-C-N 112.556 -2.111 . . . . 0.0 110.286 178.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.6 mt -56.78 -44.65 82.19 Favored 'Isoleucine or valine' 0 C--N 1.359 1.012 0 C-N-CA 118.52 -1.272 . . . . 0.0 111.199 -175.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.22 -23.6 54.59 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 119.019 -1.072 . . . . 0.0 112.361 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.11 -23.33 38.46 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 114.351 -1.295 . . . . 0.0 111.506 -176.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.792 ' HA ' HD12 ' A' ' 12' ' ' LEU . 15.6 mt -88.71 -29.31 19.95 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 112.973 -1.921 . . . . 0.0 108.338 178.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.0 -32.39 57.16 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 112.949 -1.932 . . . . 0.0 110.019 176.745 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.76 -21.65 59.22 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-N 113.665 -1.607 . . . . 0.0 111.652 -174.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.792 HD12 ' HA ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -57.51 -23.87 52.72 Favored 'General case' 0 CA--C 1.555 1.159 0 O-C-N 124.896 1.372 . . . . 0.0 110.883 169.293 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.16 -1.52 5.79 Favored Glycine 0 CA--C 1.545 1.957 0 O-C-N 124.668 1.23 . . . . 0.0 113.182 175.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.579 ' HB3' HD11 ' A' ' 18' ' ' LEU . 67.1 m-85 -93.54 163.22 25.26 Favored Pre-proline 0 C--O 1.204 -1.297 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -175.092 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -81.87 143.9 13.38 Favored 'Trans proline' 0 C--N 1.379 2.153 0 C-N-CA 123.231 2.621 . . . . 0.0 113.158 170.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -53.86 -20.02 5.28 Favored 'General case' 0 C--N 1.363 1.163 0 O-C-N 124.088 0.867 . . . . 0.0 113.111 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 43.1 t -70.9 -44.35 66.44 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.819 -177.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.579 HD11 ' HB3' ' A' ' 14' ' ' PHE . 1.4 pp -78.43 -22.9 47.01 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 124.224 0.953 . . . . 0.0 111.029 176.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.529 ' N ' HD12 ' A' ' 18' ' ' LEU . 25.0 t -66.74 -50.42 65.87 Favored 'Isoleucine or valine' 0 C--N 1.352 0.706 0 O-C-N 125.48 1.737 . . . . 0.0 110.001 -175.669 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -52.36 -53.35 19.78 Favored 'Isoleucine or valine' 0 C--N 1.349 0.576 0 O-C-N 125.77 1.918 . . . . 0.0 110.951 -176.364 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -76.7 -21.98 54.59 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 112.726 -2.034 . . . . 0.0 111.09 -177.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.4 -22.13 44.71 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 119.219 -0.992 . . . . 0.0 112.023 178.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.771 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.2 t80 -85.96 -50.49 7.04 Favored 'General case' 0 C--N 1.346 0.438 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 178.13 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -65.51 -35.27 80.37 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 111.611 -2.54 . . . . 0.0 111.308 -174.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.27 -31.83 66.12 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 123.984 0.802 . . . . 0.0 110.867 175.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.598 ' SG ' HD22 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -89.09 13.25 13.5 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 124.647 1.217 . . . . 0.0 112.471 178.708 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 64.52 67.12 0.58 Allowed 'General case' 0 C--N 1.359 1.015 0 CA-C-O 122.356 1.074 . . . . 0.0 110.028 -177.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 30.92 41.99 0.01 OUTLIER 'General case' 0 CA--C 1.563 1.479 0 CA-C-N 112.728 -2.033 . . . . 0.0 114.383 178.173 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.439 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.7 OUTLIER -104.26 147.31 27.63 Favored 'General case' 0 C--O 1.209 -1.04 0 CA-C-N 114.625 -1.17 . . . . 0.0 108.445 -168.24 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.31 -51.61 6.46 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 125.251 1.594 . . . . 0.0 109.926 -174.457 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -67.91 -46.51 71.35 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 113.724 -1.58 . . . . 0.0 111.041 -178.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.598 HD22 ' SG ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -67.96 -34.27 76.23 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 125.083 1.489 . . . . 0.0 110.243 -177.39 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.655 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -67.31 -37.61 83.63 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 124.313 1.008 . . . . 0.0 111.831 176.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.17 13.06 0.76 Allowed 'General case' 0 CA--C 1.55 0.967 0 O-C-N 124.758 1.286 . . . . 0.0 111.921 173.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.34 -35.35 4.66 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 114.125 -1.398 . . . . 0.0 108.447 171.645 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -80.16 -18.51 49.53 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.378 178.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.721 HD13 HD22 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -93.06 -37.72 12.01 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 113.922 -1.49 . . . . 0.0 110.322 -178.491 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.514 HD21 HD22 ' A' ' 12' ' ' LEU . 5.9 mt -108.03 -10.57 15.45 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 124.991 1.432 . . . . 0.0 111.586 -168.427 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.48 1.84 7.65 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 124.582 1.176 . . . . 0.0 110.966 -178.342 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -41.34 121.74 1.7 Allowed 'General case' 0 C--N 1.366 1.308 0 O-C-N 124.494 1.121 . . . . 0.0 110.444 171.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -120.59 -89.12 0.61 Allowed 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 111.894 -2.412 . . . . 0.0 106.759 179.502 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -178.45 31.58 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.699 0 O-C-N 124.836 1.335 . . . . 0.0 110.241 -170.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 69.06 -178.17 0.22 Allowed 'General case' 0 CA--C 1.546 0.809 0 O-C-N 123.904 0.753 . . . . 0.0 109.946 -177.256 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 49.6 p30 -113.62 46.6 1.27 Allowed 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 114.029 -1.442 . . . . 0.0 111.289 -177.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 . . . . . 0 CA--C 1.549 0.907 0 O-C-N 124.71 1.256 . . . . 0.0 110.266 179.175 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.531 0.23 0 CA-C-O 121.492 0.663 . . . . 0.0 110.038 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 60.72 37.87 18.69 Favored 'General case' 0 C--N 1.348 0.521 0 CA-C-N 112.739 -2.028 . . . . 0.0 112.119 176.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -61.58 -27.74 68.85 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 125.372 1.67 . . . . 0.0 112.896 -175.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -59.87 -29.73 68.51 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 125.32 1.638 . . . . 0.0 111.7 175.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.86 -33.31 15.71 Favored 'General case' 0 C--O 1.211 -0.936 0 CA-C-N 112.797 -2.001 . . . . 0.0 110.211 176.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.4 mm -55.74 -44.15 76.2 Favored 'Isoleucine or valine' 0 C--N 1.359 1.008 0 C-N-CA 119.231 -0.988 . . . . 0.0 110.74 -173.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.19 -23.97 47.34 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 115.157 -0.928 . . . . 0.0 112.975 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.23 -19.23 40.11 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 114.406 -1.27 . . . . 0.0 111.618 -178.681 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.801 ' HA ' HD12 ' A' ' 12' ' ' LEU . 13.8 mt -90.02 -28.81 18.83 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 113.288 -1.778 . . . . 0.0 108.534 178.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.05 -31.25 44.45 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 112.196 -2.274 . . . . 0.0 110.256 175.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.51 -22.48 57.1 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 113.542 -1.663 . . . . 0.0 111.674 -175.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.801 HD12 ' HA ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -55.94 -22.83 28.4 Favored 'General case' 0 CA--C 1.554 1.115 0 O-C-N 124.994 1.434 . . . . 0.0 110.871 169.552 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.81 -1.95 6.37 Favored Glycine 0 CA--C 1.541 1.677 0 O-C-N 124.667 1.23 . . . . 0.0 113.165 176.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.664 ' HB3' HD11 ' A' ' 18' ' ' LEU . 82.0 m-85 -96.28 163.08 21.56 Favored Pre-proline 0 C--N 1.348 0.526 0 CA-C-N 114.619 -0.791 . . . . 0.0 110.424 -173.599 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -83.51 143.82 11.11 Favored 'Trans proline' 0 C--N 1.365 1.424 0 C-N-CA 123.201 2.601 . . . . 0.0 112.895 172.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -54.53 -18.46 4.39 Favored 'General case' 0 CA--C 1.557 1.233 0 O-C-N 124.194 0.934 . . . . 0.0 112.821 -178.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.95 -43.6 82.72 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 114.095 -1.411 . . . . 0.0 111.946 -177.602 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.739 HD12 ' N ' ' A' ' 19' ' ' VAL . 0.8 OUTLIER -79.81 -22.68 42.76 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 124.494 1.121 . . . . 0.0 111.08 176.622 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.739 ' N ' HD12 ' A' ' 18' ' ' LEU . 25.6 t -65.71 -49.16 79.32 Favored 'Isoleucine or valine' 0 C--N 1.354 0.789 0 O-C-N 125.54 1.775 . . . . 0.0 109.664 -173.339 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -51.94 -57.36 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 CA-C-N 112.427 -2.17 . . . . 0.0 109.995 179.227 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -80.24 -2.26 44.24 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 124.599 1.187 . . . . 0.0 112.771 -175.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.75 -20.04 17.13 Favored 'General case' 0 C--N 1.354 0.778 0 O-C-N 124.009 0.818 . . . . 0.0 112.251 176.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.702 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -89.67 -43.85 10.44 Favored 'General case' 0 C--N 1.348 0.526 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 175.026 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -72.16 -37.37 69.39 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-N 112.223 -2.262 . . . . 0.0 111.33 -173.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.61 -25.38 62.15 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 124.349 1.031 . . . . 0.0 111.525 174.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.496 ' SG ' HD23 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -92.57 8.59 38.26 Favored 'General case' 0 C--N 1.351 0.638 0 O-C-N 124.731 1.269 . . . . 0.0 112.615 177.249 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 64.69 70.72 0.48 Allowed 'General case' 0 C--N 1.355 0.825 0 CA-C-O 121.885 0.85 . . . . 0.0 110.526 -177.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.6 mptt 33.32 36.81 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.335 0 CA-C-N 113.285 -1.78 . . . . 0.0 114.478 178.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.494 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 2.6 m-20 -96.38 156.73 16.22 Favored 'General case' 0 C--O 1.212 -0.89 0 CA-C-N 114.009 -1.451 . . . . 0.0 107.811 -170.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.14 -59.54 1.87 Allowed 'General case' 0 C--N 1.35 0.609 0 O-C-N 125.823 1.952 . . . . 0.0 110.288 -173.458 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.08 -43.65 82.04 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 125.021 1.451 . . . . 0.0 111.025 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.496 HD23 ' SG ' ' A' ' 26' ' ' CYS . 3.4 tp -64.31 -34.15 77.47 Favored 'General case' 0 C--N 1.347 0.48 0 CA-C-N 113.429 -1.714 . . . . 0.0 111.157 -179.074 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.679 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -68.66 -40.11 80.36 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 125.149 1.531 . . . . 0.0 112.074 176.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.88 9.54 1.48 Allowed 'General case' 0 CA--C 1.546 0.795 0 O-C-N 124.722 1.264 . . . . 0.0 111.585 173.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -113.09 -30.13 7.09 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 114.264 -1.335 . . . . 0.0 109.866 172.077 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -83.57 -14.97 50.91 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-O 122.497 1.141 . . . . 0.0 110.336 175.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.706 HD13 HD22 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -96.75 -35.72 10.89 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 113.907 -1.497 . . . . 0.0 110.406 -179.391 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.563 HD21 HD22 ' A' ' 12' ' ' LEU . 5.7 mt -113.65 -3.92 13.52 Favored 'General case' 0 C--N 1.349 0.563 0 O-C-N 125.161 1.538 . . . . 0.0 112.075 -170.066 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.92 -9.96 1.79 Allowed 'General case' 0 C--N 1.353 0.757 0 O-C-N 124.387 1.055 . . . . 0.0 112.033 -175.564 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -54.21 113.75 1.37 Allowed 'General case' 0 C--N 1.36 1.048 0 O-C-N 124.553 1.158 . . . . 0.0 109.714 172.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -116.96 -75.19 0.58 Allowed 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 111.805 -2.452 . . . . 0.0 108.206 178.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -171.23 -161.05 0.2 Allowed 'General case' 0 CA--C 1.552 1.057 0 O-C-N 125.013 1.446 . . . . 0.0 108.485 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -152.72 160.27 43.14 Favored 'General case' 0 C--N 1.358 0.968 0 CA-C-N 113.19 -1.823 . . . . 0.0 107.978 -178.035 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -170.78 90.82 0.15 Allowed 'General case' 0 C--N 1.357 0.929 0 CA-C-N 113.287 -1.779 . . . . 0.0 108.344 178.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 . . . . . 0 C--N 1.351 0.659 0 CA-C-N 114.384 -1.28 . . . . 0.0 110.475 178.638 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.533 0.289 0 CA-C-O 121.003 0.43 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -112.05 -15.39 13.28 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 114.232 -1.349 . . . . 0.0 113.708 -175.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.4 pttp -45.45 -25.79 0.47 Allowed 'General case' 0 CA--C 1.55 0.964 0 O-C-N 125.522 1.764 . . . . 0.0 114.531 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.13 -53.43 58.32 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 124.996 1.435 . . . . 0.0 111.738 176.555 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.17 -27.0 64.17 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 113.191 -1.822 . . . . 0.0 110.002 175.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.407 ' HA ' HG11 ' A' ' 19' ' ' VAL . 13.2 mt -67.22 -9.55 10.24 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.029 0 C-N-CA 119.101 -1.04 . . . . 0.0 112.202 -173.455 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -105.83 -26.95 11.53 Favored 'General case' 0 C--N 1.354 0.791 0 O-C-N 123.689 0.618 . . . . 0.0 111.156 174.169 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.37 -25.11 42.25 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 124.712 1.257 . . . . 0.0 111.016 -177.706 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.782 HD11 ' CD1' ' A' ' 23' ' ' TYR . 20.8 mt -84.87 -32.48 23.19 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-N 112.482 -2.145 . . . . 0.0 108.305 178.417 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.23 -29.49 54.11 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 112.862 -1.972 . . . . 0.0 110.695 178.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.28 -20.43 57.36 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 113.453 -1.703 . . . . 0.0 111.525 -175.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.751 HD12 ' HA ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -58.39 -22.89 55.49 Favored 'General case' 0 CA--C 1.555 1.147 0 O-C-N 125.015 1.447 . . . . 0.0 110.989 169.373 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.99 0.28 6.01 Favored Glycine 0 CA--C 1.545 1.927 0 O-C-N 124.843 1.339 . . . . 0.0 113.127 176.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.598 ' HB3' HD11 ' A' ' 18' ' ' LEU . 65.3 m-85 -94.27 163.66 22.57 Favored Pre-proline 0 C--O 1.248 0.993 0 O-C-N 124.1 0.53 . . . . 0.0 110.847 -174.508 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.617 ' O ' HG23 ' A' ' 19' ' ' VAL . 94.5 Cg_endo -80.93 150.03 18.05 Favored 'Trans proline' 0 CA--C 1.545 1.075 0 C-N-CA 124.792 3.662 . . . . 0.0 113.734 169.708 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -54.74 -20.19 7.89 Favored 'General case' 0 C--N 1.358 0.957 0 C-N-CA 124.584 1.154 . . . . 0.0 113.42 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.93 -40.42 32.06 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 114.162 -1.381 . . . . 0.0 111.567 -172.039 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.598 HD11 ' HB3' ' A' ' 14' ' ' PHE . 1.3 pp -81.23 -23.07 38.3 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 124.77 1.294 . . . . 0.0 110.755 176.433 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 15' ' ' PRO . 25.3 t -65.21 -52.21 55.55 Favored 'Isoleucine or valine' 0 C--N 1.35 0.63 0 O-C-N 125.486 1.741 . . . . 0.0 110.28 -176.676 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.503 HD13 ' CE1' ' A' ' 24' ' ' PHE . 0.4 OUTLIER -51.87 -57.76 3.18 Favored 'Isoleucine or valine' 0 C--N 1.351 0.667 0 CA-C-N 112.183 -2.28 . . . . 0.0 110.695 179.852 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -72.87 -17.02 61.57 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 113.141 -1.845 . . . . 0.0 111.549 -176.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.71 -24.58 31.17 Favored 'General case' 0 C--N 1.351 0.643 0 O-C-N 124.571 1.169 . . . . 0.0 112.242 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.782 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -83.36 -48.64 10.18 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 118.801 -1.16 . . . . 0.0 108.856 178.912 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.503 ' CE1' HD13 ' A' ' 20' ' ' ILE . 10.7 m-85 -65.04 -36.66 85.07 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 112.232 -2.258 . . . . 0.0 111.57 -178.187 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.36 -29.53 66.23 Favored 'General case' 0 C--N 1.357 0.919 0 O-C-N 123.893 0.745 . . . . 0.0 110.871 175.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.502 ' SG ' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -89.87 11.35 20.55 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 124.861 1.35 . . . . 0.0 112.127 176.72 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 59.26 73.82 0.47 Allowed 'General case' 0 C--N 1.357 0.91 0 CA-C-O 122.409 1.1 . . . . 0.0 110.273 -176.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 27.12 50.44 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.197 0 CA-C-N 111.562 -2.563 . . . . 0.0 114.86 176.386 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.444 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.6 OUTLIER -115.25 149.09 38.32 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-N 114.32 -1.309 . . . . 0.0 108.977 -169.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.01 -51.63 5.5 Favored 'General case' 0 C--O 1.221 -0.407 0 O-C-N 125.241 1.588 . . . . 0.0 111.17 -172.414 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -67.74 -46.52 71.89 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 113.1 -1.864 . . . . 0.0 110.432 178.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.502 HD23 ' SG ' ' A' ' 26' ' ' CYS . 3.5 tp -65.89 -33.82 76.71 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 125.32 1.638 . . . . 0.0 111.047 -176.715 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.658 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -71.4 -36.59 71.43 Favored 'General case' 0 C--N 1.355 0.833 0 O-C-N 125.174 1.546 . . . . 0.0 112.129 177.12 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.14 11.99 1.31 Allowed 'General case' 0 CA--C 1.551 0.981 0 O-C-N 124.635 1.21 . . . . 0.0 111.43 172.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -118.32 -24.08 7.03 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 114.024 -1.444 . . . . 0.0 110.036 173.205 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -90.1 -19.73 23.99 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 124.192 0.933 . . . . 0.0 110.78 174.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.714 HD13 HD22 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -88.45 -37.48 15.79 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.239 -1.346 . . . . 0.0 109.949 179.186 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.6 HD21 HD22 ' A' ' 12' ' ' LEU . 4.0 mt -109.98 -4.85 15.67 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 125.174 1.546 . . . . 0.0 111.396 -170.744 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.33 23.59 0.92 Allowed 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 114.2 -1.364 . . . . 0.0 109.752 -177.404 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -38.25 -46.79 1.12 Allowed 'General case' 0 C--N 1.365 1.256 0 O-C-N 125.145 1.528 . . . . 0.0 112.52 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -161.51 -69.1 0.06 Allowed 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 112.187 -2.279 . . . . 0.0 108.763 174.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -71.99 130.58 41.31 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 113.753 -1.567 . . . . 0.0 109.989 -173.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.6 t70 169.04 109.17 0.01 OUTLIER 'General case' 0 C--N 1.355 0.848 0 O-C-N 125.561 1.788 . . . . 0.0 107.207 -176.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 59.25 91.66 0.04 OUTLIER 'General case' 0 C--N 1.354 0.789 0 O-C-N 124.946 1.404 . . . . 0.0 110.745 173.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 . . . . . 0 CA--C 1.545 0.753 0 CA-C-N 114.015 -1.448 . . . . 0.0 109.992 178.713 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 . . . . . 0 CA--C 1.535 0.387 0 CA-C-O 121.952 0.882 . . . . 0.0 109.87 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.414 ' O ' HG13 ' A' ' 6' ' ' ILE . 5.2 mp0 -94.53 -22.14 18.42 Favored 'General case' 0 C--N 1.347 0.472 0 CA-C-N 113.053 -1.885 . . . . 0.0 111.1 -177.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -40.03 -32.13 0.15 Allowed 'General case' 0 C--N 1.36 1.032 0 O-C-N 125.922 2.014 . . . . 0.0 114.244 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -57.92 8.52 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-N 113.575 -1.648 . . . . 0.0 111.454 176.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.48 -25.56 63.22 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 113.266 -1.788 . . . . 0.0 110.824 176.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 2' ' ' GLU . 7.8 mt -66.85 -10.56 11.97 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.044 0 C-N-CA 118.859 -1.136 . . . . 0.0 111.92 -176.04 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -105.14 -27.8 11.37 Favored 'General case' 0 C--N 1.36 1.027 0 O-C-N 124.381 1.05 . . . . 0.0 111.552 174.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.24 -24.11 37.58 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 124.8 1.312 . . . . 0.0 111.425 -177.35 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.824 ' HA ' HD12 ' A' ' 12' ' ' LEU . 24.2 mt -84.7 -30.84 24.45 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 112.518 -2.128 . . . . 0.0 109.203 178.121 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.03 -30.83 44.39 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 111.992 -2.367 . . . . 0.0 110.658 178.263 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.35 -21.31 59.75 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 113.089 -1.869 . . . . 0.0 111.657 -177.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.824 HD12 ' HA ' ' A' ' 9' ' ' LEU . 0.9 OUTLIER -57.73 -21.02 38.65 Favored 'General case' 0 CA--C 1.554 1.11 0 CA-C-N 113.87 -1.514 . . . . 0.0 111.258 169.364 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.47 13.76 5.12 Favored Glycine 0 C--N 1.359 1.838 0 O-C-N 124.801 1.313 . . . . 0.0 112.836 176.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.653 ' HB3' HD11 ' A' ' 18' ' ' LEU . 31.6 m-85 -107.64 159.55 29.92 Favored Pre-proline 0 C--O 1.259 1.597 0 CA-C-N 114.325 -0.938 . . . . 0.0 108.775 -172.592 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.647 ' O ' HG23 ' A' ' 19' ' ' VAL . 80.9 Cg_endo -83.15 146.75 12.74 Favored 'Trans proline' 0 CA--C 1.543 0.928 1 C-N-CA 125.478 4.119 . . . . 0.0 113.199 172.201 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -51.7 -19.17 1.47 Allowed 'General case' 0 C--N 1.36 1.03 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.9 t -74.89 -42.4 57.9 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 124.281 0.988 . . . . 0.0 112.742 -175.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.653 HD11 ' HB3' ' A' ' 14' ' ' PHE . 1.6 pp -83.25 -20.24 34.89 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 114.826 -1.079 . . . . 0.0 110.966 177.631 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 15' ' ' PRO . 37.0 t -67.46 -51.22 54.31 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 CA-C-N 112.968 -1.924 . . . . 0.0 109.87 -176.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.475 HD13 ' CE1' ' A' ' 24' ' ' PHE . 0.4 OUTLIER -54.66 -53.85 28.13 Favored 'Isoleucine or valine' 0 C--N 1.35 0.608 0 CA-C-N 112.26 -2.245 . . . . 0.0 110.382 -178.867 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -72.29 -20.16 61.56 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 112.393 -2.185 . . . . 0.0 110.866 -174.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.72 -50.51 24.24 Favored 'General case' 0 C--O 1.215 -0.717 0 O-C-N 124.395 1.059 . . . . 0.0 110.79 177.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.769 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -60.18 -52.83 63.65 Favored 'General case' 0 C--N 1.356 0.873 0 O-C-N 124.516 1.135 . . . . 0.0 110.587 -179.163 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.475 ' CE1' HD13 ' A' ' 20' ' ' ILE . 4.0 m-85 -60.22 -39.4 86.5 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 112.299 -2.228 . . . . 0.0 111.556 -177.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.47 -29.66 63.85 Favored 'General case' 0 C--N 1.358 0.966 0 O-C-N 124.286 0.992 . . . . 0.0 111.699 177.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.57 ' SG ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -91.91 12.44 21.66 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 125.0 1.438 . . . . 0.0 111.794 178.453 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 61.02 74.79 0.44 Allowed 'General case' 0 C--N 1.357 0.929 0 O-C-N 123.956 0.785 . . . . 0.0 110.84 -175.161 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 29.82 42.73 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.075 0 CA-C-N 112.889 -1.96 . . . . 0.0 114.85 175.476 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.438 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -109.91 146.0 35.9 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 114.389 -1.278 . . . . 0.0 108.833 -169.033 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.39 -50.58 7.19 Favored 'General case' 0 C--O 1.22 -0.464 0 O-C-N 125.331 1.644 . . . . 0.0 110.976 -176.547 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.64 -47.46 69.52 Favored 'General case' 0 C--N 1.348 0.515 0 CA-C-N 112.641 -2.072 . . . . 0.0 110.919 -178.348 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.57 HD23 ' SG ' ' A' ' 26' ' ' CYS . 3.9 tp -68.26 -32.98 73.54 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 112.913 -1.949 . . . . 0.0 111.773 -177.506 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.718 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -71.34 -36.24 71.48 Favored 'General case' 0 C--N 1.356 0.88 0 O-C-N 125.025 1.453 . . . . 0.0 111.958 177.25 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.47 9.24 2.28 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 124.671 1.232 . . . . 0.0 111.803 173.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -115.89 -27.56 6.96 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 113.935 -1.484 . . . . 0.0 109.824 173.62 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -85.07 -19.9 31.21 Favored 'General case' 0 C--O 1.219 -0.536 0 C-N-CA 119.378 -0.929 . . . . 0.0 110.405 175.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.733 HD13 HD22 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -89.23 -41.02 12.46 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 113.96 -1.473 . . . . 0.0 110.185 179.504 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.653 HD21 HD22 ' A' ' 12' ' ' LEU . 5.8 mt -109.43 -4.67 16.18 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 125.015 1.447 . . . . 0.0 112.444 -170.389 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.51 13.44 2.55 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 125.0 1.437 . . . . 0.0 111.07 -178.705 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -38.35 90.65 0.0 OUTLIER 'General case' 0 C--N 1.367 1.361 0 O-C-N 125.609 1.818 . . . . 0.0 111.9 -176.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -104.76 -34.56 8.07 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 113.834 -1.53 . . . . 0.0 110.787 -170.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 79.24 52.84 0.02 OUTLIER 'General case' 0 C--N 1.354 0.793 0 O-C-N 125.687 1.867 . . . . 0.0 109.458 176.378 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -58.69 -21.85 55.64 Favored 'General case' 0 C--N 1.357 0.92 0 CA-C-N 113.496 -1.684 . . . . 0.0 112.666 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.91 104.85 0.59 Allowed 'General case' 0 C--N 1.354 0.799 0 CA-C-N 113.512 -1.677 . . . . 0.0 109.822 173.361 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.553 1.082 0 CA-C-N 112.281 -2.236 . . . . 0.0 111.813 175.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 . . . . . 0 CA--C 1.543 0.71 0 CA-C-O 121.762 0.792 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.3 0.64 11.19 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 113.76 -1.564 . . . . 0.0 112.16 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.73 -23.32 4.4 Favored 'General case' 0 C--N 1.359 0.979 0 O-C-N 124.872 1.358 . . . . 0.0 113.904 179.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.6 -46.33 90.3 Favored 'General case' 0 C--N 1.349 0.586 0 CA-C-N 113.931 -1.486 . . . . 0.0 112.047 176.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.415 ' CB ' ' CZ ' ' A' ' 23' ' ' TYR . . . -73.08 -28.81 62.52 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 112.81 -1.995 . . . . 0.0 109.747 176.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.1 mt -63.01 -13.9 13.01 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.955 0 C-N-CA 118.744 -1.183 . . . . 0.0 112.475 -175.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -103.15 -29.85 11.07 Favored 'General case' 0 C--N 1.357 0.9 0 O-C-N 124.091 0.869 . . . . 0.0 111.312 175.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.32 -22.16 44.92 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 124.617 1.198 . . . . 0.0 111.569 -176.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.794 ' HA ' HD12 ' A' ' 12' ' ' LEU . 22.4 mt -86.97 -32.89 19.84 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 112.69 -2.05 . . . . 0.0 108.52 177.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.26 -30.06 60.35 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 112.859 -1.973 . . . . 0.0 110.274 177.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.07 -21.46 54.39 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 113.316 -1.766 . . . . 0.0 111.606 -175.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.794 HD12 ' HA ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -57.34 -22.66 43.75 Favored 'General case' 0 CA--C 1.553 1.087 0 O-C-N 124.909 1.381 . . . . 0.0 110.994 169.613 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.0 -3.78 6.01 Favored Glycine 0 CA--C 1.542 1.726 0 O-C-N 124.671 1.232 . . . . 0.0 112.906 176.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.611 ' HB3' HD11 ' A' ' 18' ' ' LEU . 70.8 m-85 -92.31 162.77 29.12 Favored Pre-proline 0 C--N 1.35 0.629 0 O-C-N 124.262 0.625 . . . . 0.0 110.307 -174.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.596 ' O ' HG23 ' A' ' 19' ' ' VAL . 90.2 Cg_endo -83.03 148.64 13.48 Favored 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 123.84 3.026 . . . . 0.0 112.411 170.595 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -54.13 -20.26 6.36 Favored 'General case' 0 CA--C 1.552 1.046 0 O-C-N 124.423 1.077 . . . . 0.0 113.015 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.5 t -71.21 -44.88 64.51 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.038 -0.983 . . . . 0.0 112.358 -176.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.611 HD11 ' HB3' ' A' ' 14' ' ' PHE . 2.1 pp -80.67 -21.64 41.17 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 119.058 -1.057 . . . . 0.0 111.13 177.537 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 15' ' ' PRO . 24.7 t -65.94 -51.7 57.78 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 O-C-N 125.51 1.756 . . . . 0.0 110.297 -177.162 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.542 HD13 ' CE1' ' A' ' 24' ' ' PHE . 0.4 OUTLIER -49.87 -58.26 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.601 0 O-C-N 126.125 2.141 . . . . 0.0 110.676 179.713 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -75.12 -18.01 60.31 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 113.211 -1.813 . . . . 0.0 111.24 -174.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.72 -21.4 34.8 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 123.918 0.761 . . . . 0.0 112.599 178.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.786 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -84.45 -47.32 10.76 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 124.241 0.963 . . . . 0.0 108.424 176.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.542 ' CE1' HD13 ' A' ' 20' ' ' ILE . 2.7 m-85 -67.23 -38.18 84.8 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-N 112.084 -2.325 . . . . 0.0 111.528 -176.14 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.14 -26.34 63.9 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 124.487 1.117 . . . . 0.0 111.132 175.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.422 ' SG ' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -97.31 10.03 40.67 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 124.808 1.317 . . . . 0.0 112.397 177.139 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 62.27 74.53 0.43 Allowed 'General case' 0 C--N 1.358 0.947 0 O-C-N 123.987 0.805 . . . . 0.0 111.259 -177.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.458 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.4 OUTLIER 25.85 41.59 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 126.288 1.835 . . . . 0.0 114.726 179.426 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.515 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -103.03 151.73 22.17 Favored 'General case' 0 C--O 1.216 -0.67 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -170.026 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.55 -56.37 3.38 Favored 'General case' 0 C--O 1.221 -0.417 0 O-C-N 124.999 1.437 . . . . 0.0 110.577 -174.365 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -64.92 -47.35 78.05 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 113.315 -1.766 . . . . 0.0 111.25 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.422 HD23 ' SG ' ' A' ' 26' ' ' CYS . 3.9 tp -64.08 -35.88 82.18 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-N 113.289 -1.778 . . . . 0.0 111.139 -177.566 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.642 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -68.19 -37.05 80.5 Favored 'General case' 0 C--N 1.353 0.734 0 O-C-N 125.172 1.545 . . . . 0.0 112.714 178.037 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.52 13.05 0.84 Allowed 'General case' 0 CA--C 1.549 0.905 0 O-C-N 124.769 1.293 . . . . 0.0 111.571 173.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -118.24 -29.89 5.42 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 114.017 -1.447 . . . . 0.0 109.6 172.53 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.401 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 11.4 t80 -80.99 -21.91 39.88 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 119.549 -0.86 . . . . 0.0 110.563 175.046 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.734 HD13 HD22 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -90.67 -37.81 13.5 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.139 -1.391 . . . . 0.0 110.92 -177.479 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.518 HD21 HD22 ' A' ' 12' ' ' LEU . 4.8 mt -108.71 -10.8 15.14 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 125.067 1.479 . . . . 0.0 111.393 -170.611 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.49 14.11 4.99 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 124.932 1.395 . . . . 0.0 110.474 -178.708 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -34.71 125.78 0.52 Allowed 'General case' 0 C--N 1.369 1.438 0 O-C-N 124.939 1.399 . . . . 0.0 111.772 173.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -56.79 170.57 0.4 Allowed 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 112.988 -1.914 . . . . 0.0 110.919 176.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -159.02 -60.59 0.07 Allowed 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 113.436 -1.711 . . . . 0.0 108.263 -177.493 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 179.12 96.85 0.02 OUTLIER 'General case' 0 C--N 1.353 0.741 0 O-C-N 125.4 1.687 . . . . 0.0 108.253 -176.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.48 120.27 24.8 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 113.897 -1.501 . . . . 0.0 109.222 175.464 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 . . . . . 0 CA--C 1.547 0.843 0 CA-C-N 113.3 -1.773 . . . . 0.0 109.915 -179.943 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.223 -0.292 0 CA-C-O 121.401 0.619 . . . . 0.0 109.439 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 65.83 10.89 7.22 Favored 'General case' 0 CA--C 1.553 1.064 0 CA-C-N 112.957 -1.929 . . . . 0.0 112.986 173.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 37.2 pttt -57.85 -22.96 50.6 Favored 'General case' 0 C--N 1.359 0.987 0 C-N-CA 126.565 1.946 . . . . 0.0 112.752 -176.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -63.32 -39.38 94.39 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 125.392 1.682 . . . . 0.0 111.873 177.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.69 -25.83 37.93 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 112.633 -2.076 . . . . 0.0 110.293 175.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 44.1 mt -64.68 -12.39 12.68 Favored 'Isoleucine or valine' 0 C--N 1.358 0.974 0 C-N-CA 119.251 -0.98 . . . . 0.0 112.073 -173.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -106.7 -25.6 11.68 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-N 114.665 -1.152 . . . . 0.0 111.059 176.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.43 -21.87 44.97 Favored 'General case' 0 CA--C 1.547 0.827 0 O-C-N 124.458 1.099 . . . . 0.0 111.775 178.459 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.859 ' HA ' HD12 ' A' ' 12' ' ' LEU . 22.0 mt -90.14 -30.23 17.77 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 112.964 -1.925 . . . . 0.0 109.081 -178.388 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.75 -31.35 40.99 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 111.549 -2.569 . . . . 0.0 109.924 176.309 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.0 -20.24 58.01 Favored 'General case' 0 C--N 1.356 0.889 0 CA-C-N 113.548 -1.66 . . . . 0.0 111.829 -176.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.859 HD12 ' HA ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -56.42 -21.56 26.01 Favored 'General case' 0 CA--C 1.555 1.16 0 O-C-N 125.031 1.457 . . . . 0.0 110.962 169.166 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 127.46 -1.1 7.0 Favored Glycine 0 CA--C 1.543 1.837 0 O-C-N 124.603 1.189 . . . . 0.0 112.822 174.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.965 ' HB3' HD11 ' A' ' 18' ' ' LEU . 82.3 m-85 -100.66 163.11 18.74 Favored Pre-proline 0 C--O 1.25 1.098 0 CA-C-N 114.47 -0.865 . . . . 0.0 110.5 -170.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.557 ' HD2' HD21 ' A' ' 18' ' ' LEU . 72.6 Cg_endo -80.77 157.24 21.21 Favored 'Trans proline' 0 C--N 1.357 0.99 0 C-N-CA 124.516 3.478 . . . . 0.0 113.225 175.622 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.24 -16.16 51.73 Favored 'General case' 0 CA--C 1.552 1.046 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 -176.239 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.34 -40.53 58.22 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 114.011 -1.45 . . . . 0.0 111.86 -170.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.965 HD11 ' HB3' ' A' ' 14' ' ' PHE . 1.9 pp -80.04 -25.78 40.02 Favored 'General case' 0 C--N 1.357 0.901 0 O-C-N 124.73 1.268 . . . . 0.0 110.7 175.191 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 15' ' ' PRO . 41.1 t -62.19 -54.44 34.35 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.619 0 O-C-N 125.259 1.599 . . . . 0.0 110.54 -175.597 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -51.65 -53.75 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 CA-C-N 112.335 -2.211 . . . . 0.0 111.15 -178.588 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -79.32 -13.06 59.89 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 112.899 -1.955 . . . . 0.0 112.175 -174.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.96 -15.51 27.89 Favored 'General case' 0 C--N 1.351 0.654 0 O-C-N 124.218 0.949 . . . . 0.0 111.574 177.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.735 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.1 t80 -90.55 -61.98 1.56 Allowed 'General case' 0 C--N 1.349 0.564 0 O-C-N 124.626 1.204 . . . . 0.0 107.756 177.451 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -56.2 -33.56 65.43 Favored 'General case' 0 CA--C 1.549 0.939 0 O-C-N 126.109 2.131 . . . . 0.0 113.269 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.75 -32.14 59.86 Favored 'General case' 0 C--N 1.359 0.984 0 C-N-CA 119.076 -1.049 . . . . 0.0 111.398 177.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.513 ' SG ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -92.85 17.79 9.99 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 124.782 1.301 . . . . 0.0 111.82 -179.713 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 60.93 69.36 0.68 Allowed 'General case' 0 C--N 1.36 1.048 0 CA-C-O 122.145 0.974 . . . . 0.0 110.627 -176.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.421 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 26.44 43.06 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.135 0 CA-C-N 112.234 -2.257 . . . . 0.0 114.571 176.369 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -105.09 145.21 30.83 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 -167.083 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.16 -44.0 14.41 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 124.84 1.337 . . . . 0.0 110.454 -173.647 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -70.41 -48.5 55.81 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 113.04 -1.891 . . . . 0.0 110.885 -179.011 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.513 HD23 ' SG ' ' A' ' 26' ' ' CYS . 5.2 tp -69.92 -30.46 67.87 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-N 113.389 -1.732 . . . . 0.0 112.051 -175.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.679 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -73.97 -37.73 64.4 Favored 'General case' 0 C--N 1.356 0.876 0 O-C-N 125.215 1.572 . . . . 0.0 111.388 176.044 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.32 9.69 1.58 Allowed 'General case' 0 CA--C 1.545 0.771 0 O-C-N 124.573 1.17 . . . . 0.0 111.925 173.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -111.86 -35.75 5.62 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 114.025 -1.443 . . . . 0.0 109.031 169.356 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -82.11 -6.55 59.27 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-O 121.806 0.812 . . . . 0.0 112.36 178.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.726 HD23 HD13 ' A' ' 18' ' ' LEU . 2.0 mt -99.89 -40.1 7.85 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 113.982 -1.463 . . . . 0.0 109.577 178.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.818 HD21 HD22 ' A' ' 12' ' ' LEU . 8.5 mt -103.49 -14.98 16.0 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 113.284 -1.78 . . . . 0.0 111.955 -168.694 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -111.23 -9.37 14.32 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 124.638 1.211 . . . . 0.0 111.235 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -91.62 37.84 0.97 Allowed 'General case' 0 C--N 1.36 1.058 0 O-C-N 124.453 1.096 . . . . 0.0 110.79 176.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -97.69 -166.99 1.46 Allowed 'General case' 0 C--N 1.351 0.642 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 177.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -87.84 -93.18 0.1 Allowed 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 113.913 -1.494 . . . . 0.0 109.507 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -94.04 164.33 13.12 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 114.165 -1.379 . . . . 0.0 109.127 -178.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -153.7 60.83 0.74 Allowed 'General case' 0 C--N 1.353 0.74 0 CA-C-N 112.75 -2.023 . . . . 0.0 109.362 -175.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 . . . . . 0 CA--C 1.548 0.866 0 CA-C-N 113.846 -1.524 . . . . 0.0 110.311 176.702 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 . . . . . 0 CA--C 1.539 0.554 0 CA-C-O 122.834 1.302 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.0 mp0 -88.65 -32.32 18.09 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-N 112.022 -2.354 . . . . 0.0 111.369 -174.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -37.48 -31.62 0.04 OUTLIER 'General case' 0 C--N 1.357 0.916 0 O-C-N 125.999 2.062 . . . . 0.0 114.841 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -51.01 -55.52 17.02 Favored 'General case' 0 C--N 1.351 0.638 0 O-C-N 125.191 1.557 . . . . 0.0 112.544 174.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.443 ' CB ' ' CZ ' ' A' ' 23' ' ' TYR . . . -78.78 -25.79 44.39 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 112.924 -1.943 . . . . 0.0 110.216 177.652 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.419 ' CG2' ' HG3' ' A' ' 16' ' ' GLU . 14.2 mt -60.32 -15.28 9.94 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 C-N-CA 118.696 -1.201 . . . . 0.0 112.689 -175.398 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -101.33 -28.98 12.31 Favored 'General case' 0 C--N 1.355 0.844 0 O-C-N 124.071 0.857 . . . . 0.0 111.434 175.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.42 -21.44 55.96 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 124.574 1.171 . . . . 0.0 111.544 -178.203 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.9 ' HA ' HD12 ' A' ' 12' ' ' LEU . 18.0 mt -92.29 -28.12 17.17 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-N 112.958 -1.928 . . . . 0.0 109.174 -178.645 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.16 -28.18 38.85 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 111.88 -2.418 . . . . 0.0 110.201 175.467 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.21 -19.04 51.76 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 113.354 -1.748 . . . . 0.0 111.328 -176.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.9 HD12 ' HA ' ' A' ' 9' ' ' LEU . 1.0 OUTLIER -56.47 -21.49 26.04 Favored 'General case' 0 C--N 1.356 0.877 0 O-C-N 124.998 1.436 . . . . 0.0 111.432 168.198 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 126.73 -1.51 7.42 Favored Glycine 0 C--N 1.354 1.574 0 O-C-N 125.065 1.478 . . . . 0.0 112.033 177.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.436 ' HB3' HD11 ' A' ' 18' ' ' LEU . 18.0 m-30 -101.02 164.64 15.68 Favored Pre-proline 0 C--O 1.252 1.22 0 CA-C-N 113.862 -1.169 . . . . 0.0 110.074 -167.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.543 ' O ' HG23 ' A' ' 19' ' ' VAL . 93.9 Cg_endo -87.93 149.35 7.05 Favored 'Trans proline' 0 CA--C 1.537 0.661 0 C-N-CA 124.87 3.714 . . . . 0.0 112.601 175.162 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.419 ' HG3' ' CG2' ' A' ' 6' ' ' ILE . 27.5 tt0 -54.87 -16.23 2.52 Favored 'General case' 0 CA--C 1.556 1.176 0 CA-C-N 114.529 -1.214 . . . . 0.0 113.648 -179.207 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.64 -46.98 51.32 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 114.965 -1.016 . . . . 0.0 112.117 -175.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.524 HD13 HD23 ' A' ' 37' ' ' LEU . 2.8 pp -80.31 -22.55 41.41 Favored 'General case' 0 C--N 1.358 0.959 0 O-C-N 124.594 1.184 . . . . 0.0 111.155 177.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 15' ' ' PRO . 23.6 t -65.34 -51.01 69.8 Favored 'Isoleucine or valine' 0 C--N 1.35 0.611 0 O-C-N 125.634 1.834 . . . . 0.0 110.23 -177.256 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.472 HD13 ' CE1' ' A' ' 24' ' ' PHE . 0.4 OUTLIER -51.83 -55.63 8.66 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 CA-C-N 112.731 -2.031 . . . . 0.0 110.242 -178.88 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -76.31 -16.52 59.75 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 112.842 -1.981 . . . . 0.0 111.6 -173.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.61 -25.97 30.37 Favored 'General case' 0 C--O 1.217 -0.63 0 O-C-N 124.438 1.086 . . . . 0.0 112.295 177.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.75 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.8 OUTLIER -81.2 -48.49 12.01 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 124.286 0.991 . . . . 0.0 108.45 178.004 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.472 ' CE1' HD13 ' A' ' 20' ' ' ILE . 2.8 m-85 -64.3 -38.29 90.52 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 111.391 -2.64 . . . . 0.0 111.164 -176.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.5 -29.57 64.95 Favored 'General case' 0 C--N 1.358 0.963 0 O-C-N 124.141 0.901 . . . . 0.0 111.427 176.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.492 ' SG ' ' HB2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -92.51 13.22 20.36 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 124.78 1.3 . . . . 0.0 112.229 178.015 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 60.94 72.01 0.54 Allowed 'General case' 0 C--N 1.357 0.913 0 CA-C-O 122.035 0.921 . . . . 0.0 110.394 -177.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.404 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 32.79 41.44 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 112.678 -2.056 . . . . 0.0 115.312 174.232 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.433 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.7 OUTLIER -108.71 147.34 32.1 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-N 114.259 -1.337 . . . . 0.0 109.058 -168.51 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.93 -50.75 6.23 Favored 'General case' 0 C--O 1.219 -0.521 0 O-C-N 125.295 1.622 . . . . 0.0 110.923 -172.327 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -70.64 -45.05 65.9 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 112.578 -2.101 . . . . 0.0 110.666 178.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.448 HD23 ' SG ' ' A' ' 26' ' ' CYS . 3.5 tp -64.26 -36.99 85.9 Favored 'General case' 0 C--N 1.356 0.851 0 O-C-N 125.325 1.64 . . . . 0.0 110.891 -177.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.679 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -69.86 -40.29 75.84 Favored 'General case' 0 C--N 1.357 0.913 0 O-C-N 125.461 1.726 . . . . 0.0 112.426 179.012 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.34 9.22 1.37 Allowed 'General case' 0 CA--C 1.55 0.955 0 O-C-N 124.522 1.139 . . . . 0.0 112.043 174.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -116.45 -28.14 6.56 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 113.837 -1.529 . . . . 0.0 109.05 172.216 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.492 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 23.6 t80 -85.91 -11.75 52.4 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-O 122.533 1.158 . . . . 0.0 110.695 177.252 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.735 ' CD1' HD22 ' A' ' 9' ' ' LEU . 2.3 mt -96.54 -44.79 7.01 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 113.5 -1.682 . . . . 0.0 108.64 -179.535 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.88 HD21 HD22 ' A' ' 12' ' ' LEU . 7.2 mt -102.69 -6.24 22.91 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-N 113.526 -1.67 . . . . 0.0 113.574 -170.749 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.67 -8.69 7.91 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 124.752 1.283 . . . . 0.0 111.004 178.522 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -116.29 78.54 1.2 Allowed 'General case' 0 C--N 1.357 0.915 0 O-C-N 124.717 1.261 . . . . 0.0 108.717 178.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -156.1 -150.34 0.29 Allowed 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 112.939 -1.937 . . . . 0.0 107.134 175.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -155.17 -66.99 0.13 Allowed 'General case' 0 C--N 1.349 0.555 0 O-C-N 124.457 1.098 . . . . 0.0 109.163 -176.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -53.8 -45.66 70.81 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 113.932 -1.485 . . . . 0.0 111.548 -173.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -156.86 132.18 9.19 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 112.756 -2.02 . . . . 0.0 108.065 177.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 . . . . . 0 CA--C 1.547 0.865 0 O-C-N 124.956 1.41 . . . . 0.0 110.946 176.34 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 . . . . . 0 CA--C 1.509 -0.612 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -173.55 -30.0 0.01 OUTLIER 'General case' 0 C--N 1.351 0.669 0 O-C-N 125.524 1.765 . . . . 0.0 112.762 174.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.7 pttt -36.66 -32.53 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 127.333 2.253 . . . . 0.0 115.134 179.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -48.55 -61.4 2.04 Favored 'General case' 0 C--N 1.345 0.39 0 O-C-N 125.22 1.575 . . . . 0.0 111.994 173.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.429 ' CB ' ' CZ ' ' A' ' 23' ' ' TYR . . . -71.58 -24.88 61.99 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-N 114.028 -1.442 . . . . 0.0 110.974 178.418 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.6 mt -65.51 -11.25 11.8 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 C-N-CA 118.711 -1.196 . . . . 0.0 111.846 -177.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.63 -25.72 12.14 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 124.153 0.908 . . . . 0.0 111.024 176.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.29 -24.04 30.06 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 124.58 1.175 . . . . 0.0 111.236 -177.498 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.882 ' HA ' HD12 ' A' ' 12' ' ' LEU . 16.7 mt -86.97 -33.22 19.71 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 112.604 -2.089 . . . . 0.0 108.274 177.085 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -35.11 67.03 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 112.921 -1.945 . . . . 0.0 110.117 175.201 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.79 -20.77 56.05 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-N 114.024 -1.443 . . . . 0.0 111.652 -173.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.882 HD12 ' HA ' ' A' ' 9' ' ' LEU . 2.0 mt -56.86 -23.13 42.05 Favored 'General case' 0 CA--C 1.555 1.137 0 O-C-N 125.235 1.584 . . . . 0.0 110.924 169.428 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.55 -5.98 5.89 Favored Glycine 0 CA--C 1.539 1.57 0 O-C-N 124.734 1.271 . . . . 0.0 112.794 176.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.551 ' HB3' HD11 ' A' ' 18' ' ' LEU . 83.7 m-85 -91.93 162.6 30.37 Favored Pre-proline 0 C--O 1.237 0.44 0 O-C-N 124.514 0.773 . . . . 0.0 110.306 -174.622 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.608 ' O ' HG23 ' A' ' 19' ' ' VAL . 93.7 Cg_endo -83.51 147.62 12.53 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 124.275 3.317 . . . . 0.0 112.71 171.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -54.56 -19.51 6.07 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 124.3 1.0 . . . . 0.0 113.177 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.9 t -70.15 -44.59 68.52 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.984 -176.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.551 HD11 ' HB3' ' A' ' 14' ' ' PHE . 2.2 pp -81.67 -22.24 37.63 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 124.375 1.047 . . . . 0.0 111.608 177.253 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 15' ' ' PRO . 24.5 t -66.45 -52.83 42.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 O-C-N 125.521 1.763 . . . . 0.0 109.642 -175.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -51.63 -53.12 17.93 Favored 'Isoleucine or valine' 0 C--N 1.348 0.526 0 O-C-N 125.775 1.922 . . . . 0.0 111.704 -178.613 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -77.36 -23.15 50.86 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 112.434 -2.166 . . . . 0.0 110.429 -174.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.17 -28.31 57.29 Favored 'General case' 0 C--N 1.35 0.623 0 O-C-N 124.834 1.334 . . . . 0.0 111.451 177.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.778 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -78.88 -56.08 4.66 Favored 'General case' 0 C--N 1.346 0.421 0 O-C-N 124.6 1.188 . . . . 0.0 108.971 -179.26 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -60.6 -34.42 74.19 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 112.229 -2.26 . . . . 0.0 111.555 -178.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.73 -36.62 78.63 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 124.057 0.848 . . . . 0.0 110.905 174.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.697 ' SG ' HD22 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -84.26 4.05 32.64 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.781 1.301 . . . . 0.0 112.222 176.928 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 58.11 63.85 1.65 Allowed 'General case' 0 C--N 1.359 0.981 0 O-C-N 124.332 1.02 . . . . 0.0 111.094 -174.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.498 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 27.14 45.63 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 112.068 -2.333 . . . . 0.0 114.614 173.523 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -87.18 -17.48 32.57 Favored 'General case' 0 C--N 1.347 0.473 0 CA-C-N 112.474 -2.148 . . . . 0.0 110.919 -165.199 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . 0.273 0.9 OUTLIER 85.66 -70.3 0.03 OUTLIER 'General case' 0 C--N 1.349 0.549 0 O-C-N 125.668 1.855 . . . . 0.0 111.1 173.205 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -64.46 -45.0 89.31 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 112.83 -1.986 . . . . 0.0 110.843 176.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.697 HD22 ' SG ' ' A' ' 26' ' ' CYS . 0.2 OUTLIER -67.65 -31.13 70.91 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 124.695 1.247 . . . . 0.0 110.728 -179.269 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.684 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -67.97 -39.19 83.39 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-N 114.034 -1.439 . . . . 0.0 111.924 178.51 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.25 8.77 1.96 Allowed 'General case' 0 CA--C 1.548 0.903 0 O-C-N 124.842 1.338 . . . . 0.0 112.321 173.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -115.82 -24.87 7.99 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 114.472 -1.24 . . . . 0.0 109.589 173.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -87.92 -16.61 33.38 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 119.653 -0.819 . . . . 0.0 110.891 176.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.765 HD13 HD22 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -93.31 -38.49 11.47 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 113.112 -1.858 . . . . 0.0 109.913 178.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.8 mt -112.96 -5.93 13.78 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 124.776 1.297 . . . . 0.0 111.504 -170.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.74 17.1 2.33 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 124.736 1.272 . . . . 0.0 110.335 -177.19 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.21 127.02 1.74 Allowed 'General case' 0 C--N 1.36 1.03 0 O-C-N 125.414 1.696 . . . . 0.0 111.501 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -109.26 -175.99 2.91 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-N 113.885 -1.507 . . . . 0.0 108.324 -177.134 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -103.33 -161.07 0.81 Allowed 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 113.119 -1.855 . . . . 0.0 107.001 -176.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -165.57 99.27 0.69 Allowed 'General case' 0 C--N 1.352 0.687 0 CA-C-N 114.527 -1.215 . . . . 0.0 108.474 176.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -115.8 125.47 52.75 Favored 'General case' 0 C--N 1.348 0.528 0 CA-C-N 113.754 -1.567 . . . . 0.0 107.729 -178.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 . . . . . 0 CA--C 1.549 0.937 0 O-C-N 124.63 1.206 . . . . 0.0 110.742 -179.965 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 . . . . . 0 C--O 1.224 -0.244 0 CA-C-O 121.704 0.764 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -95.97 -1.52 48.88 Favored 'General case' 0 C--O 1.216 -0.68 0 CA-C-N 113.348 -1.751 . . . . 0.0 112.877 -178.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.89 -23.15 6.5 Favored 'General case' 0 C--N 1.361 1.081 0 O-C-N 125.374 1.671 . . . . 0.0 113.495 178.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -59.58 -49.58 77.23 Favored 'General case' 0 C--N 1.36 1.031 0 CA-C-N 112.985 -1.916 . . . . 0.0 110.098 -178.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.79 -31.55 46.06 Favored 'General case' 0 C--O 1.205 -1.282 0 CA-C-N 112.031 -2.35 . . . . 0.0 111.124 176.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.6 mm -56.77 -44.81 82.46 Favored 'Isoleucine or valine' 0 C--N 1.363 1.166 0 C-N-CA 119.308 -0.957 . . . . 0.0 110.696 -171.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -76.44 -25.81 54.79 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 114.129 -1.396 . . . . 0.0 112.684 178.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -79.32 -18.84 51.76 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 124.655 1.222 . . . . 0.0 111.622 -178.023 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.845 ' HA ' HD12 ' A' ' 12' ' ' LEU . 10.9 mt -91.67 -28.92 17.16 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 125.43 1.706 . . . . 0.0 108.908 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.08 -30.89 44.16 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 111.422 -2.626 . . . . 0.0 110.632 175.442 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.56 -23.08 56.54 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 113.317 -1.765 . . . . 0.0 111.704 -176.027 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.845 HD12 ' HA ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -55.59 -22.37 21.85 Favored 'General case' 0 CA--C 1.553 1.092 0 O-C-N 125.213 1.571 . . . . 0.0 111.012 169.475 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 125.28 1.95 7.75 Favored Glycine 0 C--N 1.36 1.868 0 O-C-N 124.705 1.253 . . . . 0.0 113.021 175.385 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.602 ' HB3' HD11 ' A' ' 18' ' ' LEU . 98.7 m-85 -99.83 163.04 19.19 Favored Pre-proline 0 C--O 1.216 -0.697 0 CA-C-N 114.028 -1.086 . . . . 0.0 109.738 -173.471 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -82.4 143.71 12.51 Favored 'Trans proline' 0 C--N 1.372 1.787 0 C-N-CA 122.748 2.298 . . . . 0.0 112.549 173.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -53.66 -18.06 2.71 Favored 'General case' 0 C--N 1.366 1.319 0 O-C-N 124.144 0.903 . . . . 0.0 113.181 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.65 -42.06 82.82 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 114.248 -1.342 . . . . 0.0 112.322 -177.462 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.763 HD12 ' N ' ' A' ' 19' ' ' VAL . 0.4 OUTLIER -78.48 -22.56 47.3 Favored 'General case' 0 C--N 1.356 0.884 0 C-N-CA 118.657 -1.217 . . . . 0.0 110.539 176.341 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.763 ' N ' HD12 ' A' ' 18' ' ' LEU . 21.7 t -66.87 -50.98 60.13 Favored 'Isoleucine or valine' 0 C--N 1.354 0.763 0 O-C-N 125.848 1.968 . . . . 0.0 108.994 -169.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.416 HD13 ' CE1' ' A' ' 24' ' ' PHE . 0.4 OUTLIER -50.55 -56.08 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 CA-C-N 111.58 -2.554 . . . . 0.0 110.165 179.579 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -84.01 -1.42 54.7 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 114.16 -1.382 . . . . 0.0 112.815 -174.601 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.52 -15.2 17.94 Favored 'General case' 0 C--N 1.362 1.111 0 O-C-N 124.526 1.141 . . . . 0.0 112.199 175.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.722 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -94.04 -49.39 5.8 Favored 'General case' 0 C--O 1.215 -0.753 0 O-C-N 124.885 1.365 . . . . 0.0 108.306 175.899 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.416 ' CE1' HD13 ' A' ' 20' ' ' ILE . 2.2 m-85 -67.22 -37.02 82.89 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 111.664 -2.516 . . . . 0.0 111.076 -175.705 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.12 -29.17 63.81 Favored 'General case' 0 C--N 1.357 0.907 0 O-C-N 124.372 1.045 . . . . 0.0 111.489 175.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.515 ' SG ' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -90.78 11.6 21.88 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 124.86 1.35 . . . . 0.0 112.244 178.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 62.23 75.1 0.42 Allowed 'General case' 0 C--N 1.358 0.94 0 O-C-N 124.242 0.964 . . . . 0.0 110.453 -176.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.414 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 3.4 mmtp 23.78 51.81 0.02 OUTLIER 'General case' 0 CA--C 1.56 1.363 0 CA-C-N 112.836 -1.983 . . . . 0.0 115.094 178.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.441 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -113.29 139.75 48.57 Favored 'General case' 0 C--O 1.201 -1.459 0 CA-C-N 114.099 -1.41 . . . . 0.0 108.489 -169.111 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -79.04 -51.1 10.04 Favored 'General case' 0 C--N 1.359 0.979 0 O-C-N 125.591 1.807 . . . . 0.0 111.267 -178.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.13 -46.71 73.3 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 113.429 -1.714 . . . . 0.0 110.555 -176.01 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.515 HD23 ' SG ' ' A' ' 26' ' ' CYS . 5.3 tp -69.6 -30.98 68.86 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 112.779 -2.01 . . . . 0.0 112.189 -176.742 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.695 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -71.21 -39.1 71.95 Favored 'General case' 0 C--O 1.21 -0.989 0 O-C-N 125.199 1.562 . . . . 0.0 112.104 176.25 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.43 8.05 1.98 Allowed 'General case' 0 CA--C 1.546 0.816 0 O-C-N 124.887 1.367 . . . . 0.0 111.824 174.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -116.08 -23.14 8.62 Favored 'General case' 0 C--O 1.209 -1.03 0 CA-C-N 114.234 -1.348 . . . . 0.0 110.394 173.02 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -88.67 -16.36 32.55 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 119.395 -0.922 . . . . 0.0 111.332 175.098 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.695 HD12 ' O ' ' A' ' 33' ' ' ALA . 0.6 OUTLIER -95.33 -36.63 11.32 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 112.833 -1.985 . . . . 0.0 110.585 -179.63 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.74 HD21 HD22 ' A' ' 12' ' ' LEU . 6.3 mt -113.33 -6.38 13.55 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 125.028 1.455 . . . . 0.0 111.586 -172.573 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.61 30.03 1.11 Allowed 'General case' 0 C--O 1.215 -0.762 0 CA-C-N 114.033 -1.44 . . . . 0.0 109.126 -177.523 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -41.78 -41.1 2.24 Favored 'General case' 0 C--N 1.368 1.376 0 O-C-N 125.415 1.697 . . . . 0.0 111.895 176.001 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -112.45 -154.0 0.53 Allowed 'General case' 0 C--N 1.358 0.944 0 CA-C-N 112.272 -2.24 . . . . 0.0 107.511 -178.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -118.35 -79.27 0.59 Allowed 'General case' 0 C--N 1.361 1.067 0 O-C-N 125.002 1.439 . . . . 0.0 109.324 -178.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -160.11 14.98 0.13 Allowed 'General case' 0 C--N 1.352 0.717 0 CA-C-N 114.301 -1.318 . . . . 0.0 111.432 -175.68 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 63.69 106.9 0.03 OUTLIER 'General case' 0 C--N 1.357 0.922 0 O-C-N 125.114 1.509 . . . . 0.0 110.088 176.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 mp0 . . . . . 0 CA--C 1.556 1.18 0 C-N-CA 119.612 -0.835 . . . . 0.0 110.403 -179.709 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 . . . . . 0 CA--C 1.535 0.385 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.82 -27.25 18.1 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 113.138 -1.847 . . . . 0.0 111.86 -179.259 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -19.83 56.93 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 125.653 1.846 . . . . 0.0 113.123 178.331 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.31 -26.23 68.67 Favored 'General case' 0 C--N 1.351 0.645 0 O-C-N 124.936 1.398 . . . . 0.0 112.211 178.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -97.12 -28.59 14.05 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 112.561 -2.108 . . . . 0.0 109.998 176.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.2 mm -64.08 -12.67 12.26 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.195 0 C-N-CA 118.429 -1.308 . . . . 0.0 111.773 -174.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -106.03 -28.88 10.27 Favored 'General case' 0 C--N 1.356 0.88 0 O-C-N 124.362 1.039 . . . . 0.0 111.568 176.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -79.95 -22.03 43.11 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 124.754 1.284 . . . . 0.0 111.165 -178.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.813 ' HA ' HD12 ' A' ' 12' ' ' LEU . 25.9 mt -88.05 -32.42 18.77 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-N 113.02 -1.9 . . . . 0.0 108.034 179.106 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.93 -31.83 59.3 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 112.565 -2.107 . . . . 0.0 110.48 177.412 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.37 -20.89 56.73 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 113.298 -1.774 . . . . 0.0 111.717 -175.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.813 HD12 ' HA ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -57.25 -22.85 44.24 Favored 'General case' 0 CA--C 1.554 1.124 0 O-C-N 124.89 1.369 . . . . 0.0 110.968 169.637 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.7 -3.29 5.72 Favored Glycine 0 CA--C 1.543 1.791 0 O-C-N 124.776 1.297 . . . . 0.0 112.877 176.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.592 ' HB3' HD11 ' A' ' 18' ' ' LEU . 69.2 m-85 -93.45 163.44 24.65 Favored Pre-proline 0 C--O 1.254 1.322 0 O-C-N 124.186 0.58 . . . . 0.0 111.07 -174.632 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.562 ' O ' HG23 ' A' ' 19' ' ' VAL . 84.5 Cg_endo -83.56 149.04 12.82 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 124.619 3.546 . . . . 0.0 112.394 170.686 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -55.7 -17.53 6.08 Favored 'General case' 0 CA--C 1.552 1.045 0 O-C-N 124.507 1.129 . . . . 0.0 113.062 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.49 -45.18 63.18 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 114.617 -1.174 . . . . 0.0 112.122 -175.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.592 HD11 ' HB3' ' A' ' 14' ' ' PHE . 2.1 pp -82.25 -19.79 38.89 Favored 'General case' 0 C--N 1.356 0.89 0 O-C-N 124.545 1.153 . . . . 0.0 111.126 178.001 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 15' ' ' PRO . 25.5 t -68.69 -48.4 71.68 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 O-C-N 125.382 1.676 . . . . 0.0 110.015 -177.645 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -52.03 -53.96 15.86 Favored 'Isoleucine or valine' 0 C--N 1.352 0.717 0 O-C-N 125.682 1.864 . . . . 0.0 111.318 -178.17 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -78.61 -20.06 51.28 Favored 'General case' 0 C--N 1.347 0.479 0 CA-C-N 112.435 -2.166 . . . . 0.0 110.44 -175.536 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.69 -24.9 44.76 Favored 'General case' 0 C--N 1.351 0.645 0 O-C-N 124.021 0.826 . . . . 0.0 112.171 177.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.713 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -83.59 -50.31 8.36 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 124.758 1.286 . . . . 0.0 108.333 178.783 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -66.4 -34.05 77.09 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 112.003 -2.362 . . . . 0.0 112.159 -175.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.72 -28.88 62.93 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 124.272 0.982 . . . . 0.0 111.128 174.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -91.41 5.11 50.65 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 124.785 1.303 . . . . 0.0 112.79 177.482 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 62.91 72.8 0.48 Allowed 'General case' 0 C--N 1.358 0.953 0 O-C-N 124.239 0.962 . . . . 0.0 110.102 -174.12 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.492 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.2 OUTLIER 31.58 39.08 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.268 0 CA-C-N 112.8 -2.0 . . . . 0.0 114.604 176.245 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.418 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 1.6 m-20 -98.84 143.95 28.59 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-N 114.643 -1.162 . . . . 0.0 108.27 -169.17 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -76.55 -63.65 1.29 Allowed 'General case' 0 C--O 1.22 -0.466 0 O-C-N 124.609 1.193 . . . . 0.0 111.166 -178.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -62.95 -45.05 94.27 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-N 113.636 -1.62 . . . . 0.0 111.322 -175.319 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.8 tp -64.99 -33.05 75.13 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-N 113.372 -1.74 . . . . 0.0 111.695 -178.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.679 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -71.16 -36.22 71.94 Favored 'General case' 0 C--N 1.354 0.794 0 O-C-N 125.128 1.517 . . . . 0.0 111.845 176.47 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.25 13.32 0.94 Allowed 'General case' 0 CA--C 1.548 0.872 0 O-C-N 124.644 1.215 . . . . 0.0 111.618 173.143 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -117.86 -30.09 5.49 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-N 114.043 -1.435 . . . . 0.0 109.447 172.182 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -81.93 -22.71 36.6 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 121.921 0.867 . . . . 0.0 110.95 176.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.712 ' CD1' HD22 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -88.02 -39.47 14.63 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 113.445 -1.707 . . . . 0.0 110.516 -177.934 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.494 HD21 HD22 ' A' ' 12' ' ' LEU . 4.6 mt -105.32 -10.48 16.99 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 125.436 1.71 . . . . 0.0 111.313 -170.712 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -123.6 -37.0 2.69 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 124.467 1.104 . . . . 0.0 109.817 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 40.18 -91.88 0.01 OUTLIER 'General case' 0 C--N 1.367 1.337 0 O-C-N 126.034 2.084 . . . . 0.0 111.214 -179.269 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -161.21 -46.12 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 112.333 -2.212 . . . . 0.0 108.997 177.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -128.39 85.23 2.31 Favored 'General case' 0 C--N 1.357 0.901 0 O-C-N 124.724 1.265 . . . . 0.0 109.91 -177.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 167.53 165.98 0.03 OUTLIER 'General case' 0 C--N 1.356 0.86 0 O-C-N 125.527 1.767 . . . . 0.0 109.254 175.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.08 -53.91 4.36 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 112.591 -2.095 . . . . 0.0 111.138 177.613 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 . . . . . 0 CA--C 1.547 0.863 0 O-C-N 125.212 1.57 . . . . 0.0 109.217 -179.128 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 . . . . . 0 CA--C 1.536 0.417 0 CA-C-O 121.887 0.851 . . . . 0.0 109.982 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -80.99 -17.84 48.99 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 113.151 -1.84 . . . . 0.0 114.342 -178.001 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.8 ptmm? -32.99 -32.6 0.01 OUTLIER 'General case' 0 C--N 1.354 0.8 0 C-N-CA 126.861 2.064 . . . . 0.0 115.086 177.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.03 -56.51 20.77 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 125.137 1.523 . . . . 0.0 112.405 177.58 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.0 -24.27 61.55 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 113.509 -1.678 . . . . 0.0 110.712 175.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.436 ' HA ' HG11 ' A' ' 19' ' ' VAL . 17.6 mt -63.95 -12.74 12.2 Favored 'Isoleucine or valine' 0 C--N 1.359 0.993 0 C-N-CA 119.13 -1.028 . . . . 0.0 111.959 -175.5 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -102.61 -26.77 13.09 Favored 'General case' 0 C--N 1.356 0.888 0 O-C-N 124.057 0.848 . . . . 0.0 111.478 175.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.14 -24.88 40.13 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 114.674 -1.148 . . . . 0.0 111.413 -177.037 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.86 ' HA ' HD12 ' A' ' 12' ' ' LEU . 24.5 mt -86.9 -29.12 22.37 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 112.362 -2.199 . . . . 0.0 109.778 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.56 -31.17 36.94 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 111.657 -2.519 . . . . 0.0 110.476 177.162 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.77 -20.69 59.7 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 113.425 -1.716 . . . . 0.0 111.613 -177.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.86 HD12 ' HA ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -58.17 -20.99 45.25 Favored 'General case' 0 CA--C 1.556 1.205 0 O-C-N 125.143 1.527 . . . . 0.0 110.923 169.246 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 124.9 3.92 7.44 Favored Glycine 0 C--N 1.358 1.794 0 O-C-N 124.598 1.186 . . . . 0.0 113.121 174.122 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.633 ' HB3' HD11 ' A' ' 18' ' ' LEU . 99.4 m-85 -101.05 162.33 20.92 Favored Pre-proline 0 C--O 1.256 1.412 0 CA-C-N 114.558 -0.821 . . . . 0.0 110.542 -172.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -80.75 140.91 13.26 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 124.666 3.577 . . . . 0.0 112.392 172.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -50.45 -21.34 1.43 Allowed 'General case' 0 CA--C 1.552 1.041 0 O-C-N 124.51 1.131 . . . . 0.0 113.104 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.77 -43.53 72.0 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 114.714 -1.13 . . . . 0.0 111.87 -174.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.691 HD12 ' N ' ' A' ' 19' ' ' VAL . 1.2 pp -79.4 -22.33 44.46 Favored 'General case' 0 C--N 1.36 1.06 0 O-C-N 124.694 1.246 . . . . 0.0 111.085 175.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.691 ' N ' HD12 ' A' ' 18' ' ' LEU . 16.1 t -64.2 -52.54 54.64 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.604 0 O-C-N 125.362 1.664 . . . . 0.0 109.758 -174.632 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -49.77 -56.84 2.65 Favored 'Isoleucine or valine' 0 C--N 1.35 0.613 0 CA-C-N 112.093 -2.321 . . . . 0.0 111.336 179.633 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -76.78 -20.29 56.62 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 112.817 -1.992 . . . . 0.0 111.132 -173.456 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.4 -19.55 38.89 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 124.617 1.198 . . . . 0.0 111.901 178.492 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.73 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -84.83 -57.15 3.23 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 124.521 1.138 . . . . 0.0 108.46 178.806 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -61.13 -33.33 73.21 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 111.422 -2.627 . . . . 0.0 111.896 -178.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.15 -36.43 77.41 Favored 'General case' 0 C--N 1.359 1.016 0 O-C-N 123.983 0.802 . . . . 0.0 110.939 174.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.34 3.88 37.74 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 114.03 -1.441 . . . . 0.0 112.266 177.665 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 59.17 62.32 1.86 Allowed 'General case' 0 C--N 1.361 1.106 0 O-C-N 124.247 0.967 . . . . 0.0 111.49 -175.543 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.451 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 4.5 mptt 27.65 46.31 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.076 0 CA-C-N 112.342 -2.208 . . . . 0.0 114.602 176.173 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -85.94 -17.3 35.83 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 113.183 -1.826 . . . . 0.0 112.13 -165.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . 0.281 1.0 OUTLIER 85.59 -67.77 0.03 OUTLIER 'General case' 0 C--N 1.35 0.62 0 O-C-N 125.641 1.838 . . . . 0.0 111.289 173.458 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -65.18 -45.84 83.22 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 112.903 -1.953 . . . . 0.0 111.105 175.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.9 tp -67.8 -29.43 68.6 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 125.044 1.465 . . . . 0.0 111.867 -178.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.706 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -72.15 -37.75 69.34 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 112.913 -1.949 . . . . 0.0 112.038 177.059 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.71 12.91 0.91 Allowed 'General case' 0 CA--C 1.547 0.847 0 O-C-N 124.555 1.159 . . . . 0.0 111.755 173.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -119.52 -25.87 5.9 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 113.911 -1.495 . . . . 0.0 109.288 172.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -88.98 -15.49 34.07 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-O 122.144 0.973 . . . . 0.0 111.301 178.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.706 HD12 ' O ' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -92.11 -39.81 11.39 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 113.118 -1.856 . . . . 0.0 110.105 179.328 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.839 HD21 HD22 ' A' ' 12' ' ' LEU . 6.7 mt -102.36 -15.55 16.52 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 113.673 -1.603 . . . . 0.0 112.112 -172.243 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.78 -33.36 2.97 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 124.717 1.261 . . . . 0.0 110.199 -177.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 45.91 27.56 0.5 Allowed 'General case' 0 C--N 1.361 1.092 0 O-C-N 125.484 1.74 . . . . 0.0 113.593 -178.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -81.99 -176.73 6.28 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-N 112.541 -2.118 . . . . 0.0 109.523 -171.039 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -91.21 -54.74 3.81 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 113.371 -1.741 . . . . 0.0 109.208 -175.68 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 66.42 -94.72 0.04 OUTLIER 'General case' 0 C--N 1.357 0.923 0 O-C-N 125.878 1.986 . . . . 0.0 109.753 -174.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 46.88 56.16 7.02 Favored 'General case' 0 C--N 1.36 1.036 0 O-C-N 125.166 1.541 . . . . 0.0 112.387 176.52 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 CA--C 1.552 1.025 0 CA-C-N 112.905 -1.952 . . . . 0.0 111.098 178.488 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 . . . . . 0 CA--C 1.54 0.592 0 CA-C-O 121.197 0.523 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -167.07 20.28 0.03 OUTLIER 'General case' 0 C--N 1.354 0.776 0 CA-C-N 114.404 -1.271 . . . . 0.0 112.053 -175.684 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.56 -19.15 60.44 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 124.599 1.187 . . . . 0.0 112.273 -171.067 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -65.0 -29.06 69.95 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 112.679 -2.055 . . . . 0.0 111.492 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.453 ' HB1' HD11 ' A' ' 9' ' ' LEU . . . -83.87 -28.9 27.64 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 112.374 -2.194 . . . . 0.0 110.525 176.497 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.449 ' HA ' HG11 ' A' ' 19' ' ' VAL . 3.8 mm -62.78 -15.4 15.25 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.026 0 C-N-CA 118.98 -1.088 . . . . 0.0 111.949 -174.516 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -106.13 -27.21 11.23 Favored 'General case' 0 C--N 1.36 1.035 0 O-C-N 124.878 1.361 . . . . 0.0 111.812 176.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -21.83 42.75 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 124.661 1.225 . . . . 0.0 111.508 -178.225 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.831 ' HA ' HD12 ' A' ' 12' ' ' LEU . 19.7 mt -89.38 -30.92 18.02 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-N 113.221 -1.809 . . . . 0.0 109.44 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.81 -31.76 51.95 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 111.234 -2.712 . . . . 0.0 110.365 176.022 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.11 -22.96 57.89 Favored 'General case' 0 C--N 1.358 0.971 0 CA-C-N 113.501 -1.681 . . . . 0.0 111.817 -176.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.831 HD12 ' HA ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -56.38 -21.49 25.12 Favored 'General case' 0 CA--C 1.554 1.13 0 O-C-N 125.225 1.578 . . . . 0.0 111.136 169.331 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 122.43 3.71 9.35 Favored Glycine 0 C--N 1.357 1.724 0 O-C-N 124.752 1.283 . . . . 0.0 112.828 175.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.601 ' HB3' HD11 ' A' ' 18' ' ' LEU . 99.4 m-85 -97.78 162.69 21.48 Favored Pre-proline 0 C--O 1.261 1.686 0 CA-C-N 114.215 -0.993 . . . . 0.0 110.809 -174.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -81.22 140.99 12.61 Favored 'Trans proline' 0 CA--C 1.543 0.948 0 C-N-CA 125.141 3.894 . . . . 0.0 112.287 173.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -51.7 -18.62 1.26 Allowed 'General case' 0 CA--C 1.556 1.185 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -41.99 80.47 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 114.571 -1.195 . . . . 0.0 112.135 -176.081 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.797 HD12 ' N ' ' A' ' 19' ' ' VAL . 0.3 OUTLIER -76.23 -25.8 55.43 Favored 'General case' 0 C--N 1.358 0.972 0 O-C-N 124.598 1.186 . . . . 0.0 110.727 175.819 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.797 ' N ' HD12 ' A' ' 18' ' ' LEU . 5.9 t -65.19 -49.91 76.65 Favored 'Isoleucine or valine' 0 C--N 1.35 0.622 0 O-C-N 125.799 1.937 . . . . 0.0 109.13 -168.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -51.3 -54.92 9.55 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 CA-C-N 111.787 -2.461 . . . . 0.0 110.459 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -86.25 2.27 47.75 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 125.29 1.619 . . . . 0.0 112.549 -173.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -107.47 -13.91 14.97 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 124.416 1.072 . . . . 0.0 112.055 176.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.784 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -96.43 -48.33 5.61 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 124.955 1.409 . . . . 0.0 108.212 173.634 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -66.63 -38.75 87.58 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 126.308 2.255 . . . . 0.0 110.961 -176.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.21 -25.24 61.58 Favored 'General case' 0 C--N 1.359 0.979 0 O-C-N 124.58 1.175 . . . . 0.0 111.301 176.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.839 ' SG ' HD22 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -89.92 1.97 55.61 Favored 'General case' 0 C--N 1.352 0.717 0 O-C-N 125.015 1.447 . . . . 0.0 112.754 176.719 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 67.37 70.49 0.36 Allowed 'General case' 0 C--N 1.36 1.022 0 O-C-N 124.698 1.249 . . . . 0.0 110.907 -175.273 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 36.85 32.68 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.162 0 O-C-N 125.228 1.58 . . . . 0.0 113.526 177.637 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.516 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.7 OUTLIER -92.52 151.07 20.38 Favored 'General case' 0 C--O 1.215 -0.747 0 CA-C-N 114.612 -1.176 . . . . 0.0 108.118 -170.169 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.01 -51.25 4.52 Favored 'General case' 0 C--O 1.22 -0.466 0 O-C-N 125.417 1.698 . . . . 0.0 110.667 -174.011 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -68.53 -48.03 65.38 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 112.563 -2.108 . . . . 0.0 110.585 -178.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.839 HD22 ' SG ' ' A' ' 26' ' ' CYS . 0.5 OUTLIER -66.11 -35.18 79.82 Favored 'General case' 0 C--N 1.355 0.846 0 O-C-N 125.375 1.672 . . . . 0.0 110.507 -178.681 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.643 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -66.55 -40.15 88.9 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-N 114.093 -1.412 . . . . 0.0 112.666 178.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.61 9.29 1.46 Allowed 'General case' 0 CA--C 1.544 0.742 0 O-C-N 125.121 1.513 . . . . 0.0 111.781 175.075 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -113.79 -31.31 6.48 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 113.962 -1.472 . . . . 0.0 109.591 172.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -84.19 -9.0 58.9 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-O 121.985 0.898 . . . . 0.0 111.449 176.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.763 HD13 HD22 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -102.47 -34.88 8.97 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 113.542 -1.663 . . . . 0.0 110.438 179.428 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.758 HD21 HD22 ' A' ' 12' ' ' LEU . 8.4 mt -112.8 -8.32 13.75 Favored 'General case' 0 C--N 1.354 0.787 0 O-C-N 125.309 1.631 . . . . 0.0 112.489 -169.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 m -122.71 -7.92 8.49 Favored 'General case' 0 C--N 1.356 0.874 0 O-C-N 124.852 1.345 . . . . 0.0 111.48 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.22 -25.0 54.65 Favored 'General case' 0 C--N 1.359 0.988 0 O-C-N 124.569 1.168 . . . . 0.0 111.972 176.217 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -46.44 -83.53 0.01 OUTLIER 'General case' 0 C--N 1.362 1.144 0 O-C-N 124.616 1.198 . . . . 0.0 111.445 -179.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -92.75 145.25 24.55 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 113.263 -1.79 . . . . 0.0 107.607 -179.542 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.94 135.86 57.73 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 112.929 -1.942 . . . . 0.0 109.757 178.416 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -162.85 -57.72 0.04 OUTLIER 'General case' 0 C--N 1.353 0.753 0 CA-C-N 113.165 -1.834 . . . . 0.0 109.094 -179.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 . . . . . 0 CA--C 1.552 1.032 0 CA-C-N 113.058 -1.883 . . . . 0.0 109.796 -175.474 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 . . . . . 0 CA--C 1.54 0.591 0 CA-C-O 122.178 0.989 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -74.75 -31.38 61.78 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 113.599 -1.637 . . . . 0.0 111.54 -176.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.17 -30.25 0.29 Allowed 'General case' 0 C--N 1.36 1.046 0 O-C-N 125.857 1.973 . . . . 0.0 114.574 -178.486 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -50.98 -59.11 4.5 Favored 'General case' 0 C--O 1.218 -0.577 0 CA-C-N 113.489 -1.687 . . . . 0.0 111.198 177.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.14 -25.54 61.76 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 112.494 -2.139 . . . . 0.0 110.918 177.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.412 ' HA ' ' CG1' ' A' ' 19' ' ' VAL . 11.6 mt -64.37 -8.16 4.51 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.124 0 C-N-CA 118.506 -1.278 . . . . 0.0 111.7 -177.481 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.12 -24.78 11.83 Favored 'General case' 0 C--N 1.357 0.911 0 O-C-N 123.959 0.787 . . . . 0.0 111.664 173.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.69 -19.8 37.38 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 124.591 1.182 . . . . 0.0 111.892 -178.499 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.916 ' HA ' HD12 ' A' ' 12' ' ' LEU . 15.6 mt -93.29 -28.82 15.99 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 113.021 -1.899 . . . . 0.0 108.627 -179.675 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.64 -32.32 41.64 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 111.959 -2.382 . . . . 0.0 110.063 176.132 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.91 -18.32 56.25 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 113.251 -1.795 . . . . 0.0 111.941 -177.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.916 HD12 ' HA ' ' A' ' 9' ' ' LEU . 1.9 mt -56.66 -21.23 25.96 Favored 'General case' 0 CA--C 1.551 0.988 0 O-C-N 124.854 1.347 . . . . 0.0 110.922 167.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 127.14 -0.59 7.1 Favored Glycine 0 C--N 1.358 1.791 0 O-C-N 125.153 1.533 . . . . 0.0 112.448 175.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.468 ' HB3' HD11 ' A' ' 18' ' ' LEU . 12.4 m-30 -102.14 162.06 21.48 Favored Pre-proline 0 C--O 1.251 1.132 0 CA-C-N 113.774 -1.213 . . . . 0.0 110.314 -165.626 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.563 ' O ' HG23 ' A' ' 19' ' ' VAL . 72.5 Cg_endo -79.54 149.78 21.48 Favored 'Trans proline' 0 CA--C 1.538 0.68 0 C-N-CA 124.202 3.268 . . . . 0.0 113.426 176.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.11 -19.53 33.06 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 124.606 1.191 . . . . 0.0 113.57 -178.71 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 t -76.81 -39.3 51.87 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 113.956 -1.474 . . . . 0.0 111.606 -173.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.579 HD13 HD23 ' A' ' 37' ' ' LEU . 1.1 pp -80.99 -22.01 39.83 Favored 'General case' 0 C--N 1.36 1.061 0 O-C-N 124.653 1.221 . . . . 0.0 111.216 176.725 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 15' ' ' PRO . 18.7 t -66.32 -52.19 50.09 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 O-C-N 125.659 1.849 . . . . 0.0 110.428 -176.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.51 HD13 ' CE1' ' A' ' 24' ' ' PHE . 0.4 OUTLIER -53.71 -56.42 8.98 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 CA-C-N 112.323 -2.217 . . . . 0.0 110.676 -178.329 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -73.73 -17.08 61.16 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 113.922 -1.49 . . . . 0.0 111.956 -177.112 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.46 -29.82 37.48 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 124.274 0.984 . . . . 0.0 112.193 177.073 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.701 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -77.88 -48.0 17.42 Favored 'General case' 0 C--N 1.35 0.589 0 C-N-CA 119.029 -1.068 . . . . 0.0 108.933 179.626 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.51 ' CE1' HD13 ' A' ' 20' ' ' ILE . 2.8 m-85 -64.58 -38.22 90.26 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 111.521 -2.581 . . . . 0.0 111.031 -176.667 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.32 -29.65 65.27 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.373 176.477 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.679 ' SG ' HD13 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -93.1 16.56 12.61 Favored 'General case' 0 C--N 1.353 0.718 0 O-C-N 124.887 1.367 . . . . 0.0 112.226 177.299 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 58.7 73.38 0.48 Allowed 'General case' 0 C--N 1.357 0.897 0 CA-C-O 122.103 0.954 . . . . 0.0 110.548 -177.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 30.68 42.43 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.1 0 CA-C-N 112.144 -2.298 . . . . 0.0 115.324 174.293 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -111.16 146.95 35.96 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-N 114.725 -1.125 . . . . 0.0 108.697 -167.346 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.61 -49.58 7.43 Favored 'General case' 0 C--O 1.22 -0.467 0 O-C-N 125.217 1.573 . . . . 0.0 110.49 -172.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.47 -45.79 68.18 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 112.409 -2.178 . . . . 0.0 110.998 179.279 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.679 HD13 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -67.84 -36.55 80.54 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 125.391 1.682 . . . . 0.0 109.923 -176.539 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.719 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -66.01 -39.98 90.71 Favored 'General case' 0 C--N 1.357 0.928 0 O-C-N 124.483 1.114 . . . . 0.0 112.245 178.526 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.81 10.27 0.92 Allowed 'General case' 0 CA--C 1.552 1.049 0 O-C-N 124.669 1.23 . . . . 0.0 112.398 174.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -116.58 -29.42 6.13 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 113.982 -1.463 . . . . 0.0 109.95 172.347 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.512 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 29.0 t80 -86.79 -12.31 48.43 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.734 178.038 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.719 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.4 mt -95.11 -47.95 6.16 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 113.247 -1.797 . . . . 0.0 108.966 179.423 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.534 HD21 HD22 ' A' ' 12' ' ' LEU . 7.4 mt -95.08 -16.88 22.32 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 113.439 -1.71 . . . . 0.0 112.551 -172.258 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.87 16.53 9.38 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 125.043 1.464 . . . . 0.0 110.913 178.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -43.44 145.01 0.64 Allowed 'General case' 0 C--N 1.362 1.126 0 O-C-N 125.227 1.58 . . . . 0.0 111.93 175.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.89 178.49 5.27 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 113.814 -1.539 . . . . 0.0 109.806 178.178 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -165.5 -55.51 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 113.032 -1.894 . . . . 0.0 109.894 -175.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -129.8 99.41 5.11 Favored 'General case' 0 C--N 1.352 0.695 0 O-C-N 124.88 1.363 . . . . 0.0 107.57 -177.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -98.8 -18.55 17.89 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 112.906 -1.952 . . . . 0.0 111.273 176.249 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 . . . . . 0 C--N 1.357 0.908 0 O-C-N 124.912 1.382 . . . . 0.0 108.104 -177.417 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 . . . . . 0 CA--C 1.541 0.622 0 CA-C-O 121.723 0.773 . . . . 0.0 112.034 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.424 ' HG2' ' CD ' ' A' ' 28' ' ' LYS . 3.7 mp0 -84.53 -27.19 27.53 Favored 'General case' 0 C--N 1.348 0.534 0 CA-C-N 113.227 -1.806 . . . . 0.0 111.629 -172.746 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.16 -28.51 0.02 OUTLIER 'General case' 0 C--N 1.362 1.142 0 O-C-N 126.274 2.233 . . . . 0.0 114.337 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -59.67 -56.39 22.44 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 113.408 -1.724 . . . . 0.0 112.159 177.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.83 -20.47 63.43 Favored 'General case' 0 C--N 1.35 0.588 0 C-N-CA 117.939 -1.504 . . . . 0.0 110.825 173.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.433 ' HA ' HG11 ' A' ' 19' ' ' VAL . 10.2 mt -70.81 -9.77 13.12 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 C-N-CA 118.517 -1.273 . . . . 0.0 111.737 -173.564 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -98.7 -27.94 13.75 Favored 'General case' 0 C--N 1.357 0.909 0 O-C-N 123.978 0.799 . . . . 0.0 111.398 174.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.56 -41.0 22.24 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 124.841 1.338 . . . . 0.0 110.928 -174.093 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.755 HD11 ' CD1' ' A' ' 23' ' ' TYR . 34.0 mt -60.13 -33.12 71.7 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 111.549 -2.569 . . . . 0.0 110.736 171.002 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.3 -31.67 29.87 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 112.007 -2.36 . . . . 0.0 110.531 177.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.28 -17.7 59.33 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 114.02 -1.446 . . . . 0.0 111.38 -176.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.724 HD22 HD21 ' A' ' 38' ' ' LEU . 0.6 OUTLIER -60.29 -19.74 56.29 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 113.692 -1.594 . . . . 0.0 111.15 169.762 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 125.42 6.24 6.27 Favored Glycine 0 CA--C 1.542 1.751 0 O-C-N 124.851 1.344 . . . . 0.0 112.543 174.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.959 ' HB3' HD11 ' A' ' 18' ' ' LEU . 54.4 m-85 -104.39 163.43 17.28 Favored Pre-proline 0 C--O 1.249 1.048 0 CA-C-N 114.649 -0.775 . . . . 0.0 108.925 -170.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.615 ' O ' HG23 ' A' ' 19' ' ' VAL . 88.9 Cg_endo -87.61 154.96 7.65 Favored 'Trans proline' 0 CA--C 1.545 1.052 1 C-N-CA 125.497 4.132 . . . . 0.0 112.534 171.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -57.96 -11.25 2.26 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.45 -45.5 22.01 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 124.076 0.86 . . . . 0.0 111.941 -173.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.959 HD11 ' HB3' ' A' ' 14' ' ' PHE . 3.7 pp -81.66 -23.19 37.05 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-N 114.266 -1.334 . . . . 0.0 110.398 177.339 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 15' ' ' PRO . 40.8 t -60.99 -53.42 49.38 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 O-C-N 125.282 1.614 . . . . 0.0 110.554 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.472 HD13 ' CE1' ' A' ' 24' ' ' PHE . 0.4 OUTLIER -52.44 -55.75 9.6 Favored 'Isoleucine or valine' 0 C--N 1.352 0.712 0 O-C-N 125.862 1.976 . . . . 0.0 110.527 -178.419 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.06 -14.88 59.76 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 113.022 -1.899 . . . . 0.0 111.441 -173.684 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.97 -25.28 27.87 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 124.353 1.033 . . . . 0.0 112.017 178.239 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.755 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -82.52 -50.38 8.89 Favored 'General case' 0 C--N 1.349 0.578 0 O-C-N 124.41 1.069 . . . . 0.0 108.344 178.224 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.472 ' CE1' HD13 ' A' ' 20' ' ' ILE . 4.6 m-85 -63.05 -38.67 92.1 Favored 'General case' 0 CA--C 1.55 0.979 0 CA-C-N 111.923 -2.399 . . . . 0.0 111.371 -177.696 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.69 -28.74 64.99 Favored 'General case' 0 C--N 1.358 0.97 0 O-C-N 124.104 0.878 . . . . 0.0 111.431 176.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.554 ' SG ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -93.5 9.74 35.35 Favored 'General case' 0 C--N 1.353 0.723 0 O-C-N 124.775 1.297 . . . . 0.0 112.29 178.723 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 63.87 72.28 0.47 Allowed 'General case' 0 C--N 1.361 1.107 0 O-C-N 124.315 1.009 . . . . 0.0 110.183 -176.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.424 ' CD ' ' HG2' ' A' ' 2' ' ' GLU . 0.0 OUTLIER 32.46 38.38 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 112.691 -2.05 . . . . 0.0 114.799 176.373 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.446 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -100.77 147.23 26.28 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-N 113.96 -1.473 . . . . 0.0 108.552 -168.906 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.56 -52.02 5.38 Favored 'General case' 0 C--O 1.219 -0.505 0 O-C-N 125.447 1.717 . . . . 0.0 109.738 -173.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -68.12 -45.81 72.62 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 112.963 -1.926 . . . . 0.0 110.961 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.554 HD12 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -68.57 -32.99 73.3 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 125.203 1.564 . . . . 0.0 110.568 -176.521 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.669 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -69.33 -37.7 77.84 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 114.418 -1.265 . . . . 0.0 111.85 177.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.74 10.85 1.22 Allowed 'General case' 0 CA--C 1.549 0.929 0 O-C-N 124.803 1.315 . . . . 0.0 112.058 174.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -118.9 -27.98 5.66 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 114.258 -1.337 . . . . 0.0 109.468 173.276 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -84.0 -17.43 40.51 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 119.504 -0.878 . . . . 0.0 111.019 175.623 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.674 ' CD1' HD22 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -92.5 -40.91 10.56 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 113.56 -1.655 . . . . 0.0 110.243 179.288 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.724 HD21 HD22 ' A' ' 12' ' ' LEU . 7.5 mt -107.55 -10.17 15.75 Favored 'General case' 0 C--N 1.352 0.694 0 O-C-N 125.097 1.498 . . . . 0.0 112.31 -170.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.49 7.19 6.33 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 124.905 1.378 . . . . 0.0 110.153 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -40.91 134.4 1.94 Allowed 'General case' 0 C--N 1.363 1.166 0 O-C-N 124.77 1.294 . . . . 0.0 111.027 177.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -60.7 175.03 0.51 Allowed 'General case' 0 CA--C 1.55 0.966 0 O-C-N 124.534 1.146 . . . . 0.0 111.071 -176.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -95.74 106.18 18.26 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-N 114.063 -1.426 . . . . 0.0 109.171 -175.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 p30 169.64 70.84 0.0 OUTLIER 'General case' 0 C--N 1.358 0.969 0 O-C-N 125.654 1.846 . . . . 0.0 110.252 -176.265 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -151.06 176.59 11.0 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 114.541 -1.208 . . . . 0.0 109.727 176.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.544 0.728 0 CA-C-N 112.415 -2.175 . . . . 0.0 110.709 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.535 0.393 0 CA-C-O 122.166 0.984 . . . . 0.0 110.004 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.04 -28.78 14.47 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-N 113.599 -1.637 . . . . 0.0 111.47 -176.259 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -35.25 -29.15 0.01 OUTLIER 'General case' 0 C--N 1.354 0.784 0 N-CA-C 115.65 1.722 . . . . 0.0 115.65 -178.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -56.8 -60.47 3.51 Favored 'General case' 0 C--N 1.345 0.38 0 O-C-N 124.914 1.384 . . . . 0.0 110.644 178.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.69 -26.88 64.58 Favored 'General case' 0 C--O 1.211 -0.922 0 CA-C-N 113.644 -1.616 . . . . 0.0 110.162 178.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 16.1 mt -58.16 -43.27 85.23 Favored 'Isoleucine or valine' 0 C--N 1.354 0.797 0 C-N-CA 118.927 -1.109 . . . . 0.0 111.293 -176.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -76.01 -25.97 56.22 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 119.129 -1.028 . . . . 0.0 111.676 178.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.7 -21.89 40.84 Favored 'General case' 0 C--N 1.346 0.436 0 CA-C-N 114.388 -1.278 . . . . 0.0 111.442 -176.368 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.768 ' HA ' HD12 ' A' ' 12' ' ' LEU . 15.4 mt -88.55 -31.53 18.61 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 113.214 -1.812 . . . . 0.0 107.753 178.169 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -34.67 65.66 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 112.836 -1.984 . . . . 0.0 109.814 176.053 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.04 -22.41 61.39 Favored 'General case' 0 C--N 1.348 0.534 0 CA-C-N 113.931 -1.486 . . . . 0.0 112.029 -174.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.768 HD12 ' HA ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -56.21 -24.44 42.1 Favored 'General case' 0 CA--C 1.554 1.116 0 O-C-N 124.832 1.332 . . . . 0.0 111.361 169.386 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 131.54 -0.91 5.16 Favored Glycine 0 CA--C 1.542 1.735 0 O-C-N 124.744 1.277 . . . . 0.0 113.048 175.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.581 ' HB3' HD11 ' A' ' 18' ' ' LEU . 61.8 m-85 -95.14 164.01 20.36 Favored Pre-proline 0 C--N 1.348 0.514 0 O-C-N 124.127 0.545 . . . . 0.0 110.422 -174.271 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.596 ' O ' HG23 ' A' ' 19' ' ' VAL . 96.5 Cg_endo -82.47 149.51 14.77 Favored 'Trans proline' 0 C--N 1.358 1.071 0 C-N-CA 123.525 2.817 . . . . 0.0 112.472 170.261 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -57.49 -16.79 10.67 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 124.603 1.19 . . . . 0.0 113.051 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.42 -41.01 49.13 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.832 -175.156 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.581 HD11 ' HB3' ' A' ' 14' ' ' PHE . 1.5 pp -82.96 -20.34 35.43 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 124.28 0.988 . . . . 0.0 111.044 176.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 15' ' ' PRO . 24.6 t -68.51 -51.51 45.93 Favored 'Isoleucine or valine' 0 C--N 1.346 0.454 0 CA-C-N 113.708 -1.587 . . . . 0.0 109.283 -177.386 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.449 HD13 ' CE1' ' A' ' 24' ' ' PHE . 0.4 OUTLIER -53.74 -54.29 20.52 Favored 'Isoleucine or valine' 0 C--N 1.348 0.537 0 CA-C-N 113.094 -1.867 . . . . 0.0 110.973 -177.895 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -72.53 -18.04 61.68 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 113.085 -1.871 . . . . 0.0 110.848 -176.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.93 -51.92 14.55 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 117.967 -1.493 . . . . 0.0 111.194 177.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.746 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -61.26 -49.49 76.85 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.803 -178.317 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.449 ' CE1' HD13 ' A' ' 20' ' ' ILE . 2.9 m-85 -62.52 -39.66 94.28 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 112.615 -2.084 . . . . 0.0 110.937 -177.117 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.79 -30.25 66.67 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.722 175.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.509 ' SG ' HD12 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -90.35 9.71 27.82 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 124.537 1.148 . . . . 0.0 112.105 179.032 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 61.41 77.91 0.31 Allowed 'General case' 0 C--N 1.357 0.902 0 O-C-N 124.384 1.053 . . . . 0.0 109.945 -174.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 27.83 47.11 0.02 OUTLIER 'General case' 0 CA--C 1.56 1.345 0 CA-C-N 112.617 -2.083 . . . . 0.0 114.788 176.378 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.425 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.7 OUTLIER -111.95 144.26 41.59 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-N 114.542 -1.208 . . . . 0.0 108.834 -167.542 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.93 -51.47 6.69 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 125.574 1.796 . . . . 0.0 110.492 -175.605 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -68.77 -45.56 71.06 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 125.543 1.777 . . . . 0.0 110.717 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.509 HD12 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -68.98 -32.09 71.41 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 124.897 1.373 . . . . 0.0 110.59 -177.037 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.709 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -68.93 -36.95 78.57 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 114.639 -1.164 . . . . 0.0 111.714 176.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.44 12.54 0.96 Allowed 'General case' 0 CA--C 1.549 0.925 0 O-C-N 124.542 1.151 . . . . 0.0 112.2 172.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -118.7 -26.7 6.04 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 114.452 -1.249 . . . . 0.0 109.582 173.32 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -88.75 -15.44 34.71 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.839 175.171 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.725 HD13 HD22 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -93.96 -35.77 12.49 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 114.219 -1.355 . . . . 0.0 109.7 178.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.575 HD21 HD22 ' A' ' 12' ' ' LEU . 4.3 mt -111.14 -7.64 14.46 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 124.86 1.35 . . . . 0.0 111.181 -170.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.45 12.61 3.0 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 124.874 1.359 . . . . 0.0 110.807 -177.356 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.85 100.53 0.02 OUTLIER 'General case' 0 C--N 1.362 1.128 0 O-C-N 125.074 1.484 . . . . 0.0 111.973 -179.181 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -128.69 -169.17 2.03 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-N 113.29 -1.777 . . . . 0.0 108.177 -174.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -151.57 49.42 0.81 Allowed 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 111.971 -2.377 . . . . 0.0 108.93 -171.731 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -151.39 74.83 1.15 Allowed 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 113.176 -1.829 . . . . 0.0 108.389 178.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 39.4 p-10 -159.91 -179.61 7.96 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 112.53 -2.123 . . . . 0.0 109.418 179.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 . . . . . 0 CA--C 1.548 0.882 0 CA-C-N 113.13 -1.85 . . . . 0.0 109.491 -178.987 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 . . . . . 0 CA--C 1.539 0.545 0 CA-C-O 121.885 0.85 . . . . 0.0 111.298 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -105.07 -17.09 14.61 Favored 'General case' 0 C--N 1.347 0.47 0 CA-C-N 113.068 -1.878 . . . . 0.0 111.867 -174.708 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -17.44 12.48 Favored 'General case' 0 C--N 1.354 0.79 0 O-C-N 125.604 1.815 . . . . 0.0 113.696 178.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.21 -39.39 90.05 Favored 'General case' 0 C--N 1.352 0.707 0 O-C-N 124.851 1.344 . . . . 0.0 110.975 176.109 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.404 ' CB ' ' CZ ' ' A' ' 23' ' ' TYR . . . -87.89 -27.37 22.23 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 113.073 -1.876 . . . . 0.0 110.714 178.119 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 mm -65.9 -11.54 12.68 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.187 0 C-N-CA 119.021 -1.072 . . . . 0.0 111.477 -173.27 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -105.51 -27.59 11.32 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 114.623 -1.171 . . . . 0.0 111.255 176.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.95 -21.14 40.64 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 124.617 1.198 . . . . 0.0 111.526 -179.099 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.895 ' HA ' HD12 ' A' ' 12' ' ' LEU . 16.8 mt -89.41 -29.15 19.27 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 113.326 -1.761 . . . . 0.0 108.726 179.194 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.47 -33.84 41.94 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 111.968 -2.378 . . . . 0.0 110.254 177.693 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.34 -21.17 56.47 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 113.028 -1.897 . . . . 0.0 111.665 -176.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.895 HD12 ' HA ' ' A' ' 9' ' ' LEU . 2.5 mt -57.02 -21.89 34.42 Favored 'General case' 0 CA--C 1.555 1.158 0 O-C-N 125.075 1.484 . . . . 0.0 110.908 169.564 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.49 -3.91 6.64 Favored Glycine 0 CA--C 1.544 1.857 0 O-C-N 124.659 1.224 . . . . 0.0 113.124 175.245 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.591 ' HB3' HD11 ' A' ' 18' ' ' LEU . 94.5 m-85 -95.27 160.99 29.51 Favored Pre-proline 0 C--O 1.215 -0.752 0 CA-C-N 114.383 -0.908 . . . . 0.0 109.536 -172.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.639 ' O ' HG23 ' A' ' 19' ' ' VAL . 72.5 Cg_endo -78.24 151.38 26.52 Favored 'Trans proline' 0 C--N 1.369 1.636 0 C-N-CA 123.151 2.567 . . . . 0.0 113.19 173.64 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.09 -21.54 46.51 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 124.509 1.131 . . . . 0.0 113.429 -178.421 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -76.2 -38.64 56.25 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 113.312 -1.767 . . . . 0.0 111.575 -172.349 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.591 HD11 ' HB3' ' A' ' 14' ' ' PHE . 1.2 pp -82.28 -21.23 36.27 Favored 'General case' 0 C--N 1.357 0.921 0 O-C-N 124.68 1.237 . . . . 0.0 110.986 176.727 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 15' ' ' PRO . 37.9 t -65.73 -52.07 54.54 Favored 'Isoleucine or valine' 0 C--N 1.348 0.535 0 O-C-N 125.622 1.827 . . . . 0.0 110.111 -177.068 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -51.67 -53.36 17.07 Favored 'Isoleucine or valine' 0 C--N 1.348 0.538 0 O-C-N 125.967 2.042 . . . . 0.0 110.656 -177.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.59 -14.65 58.02 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-N 112.619 -2.082 . . . . 0.0 111.458 -173.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.45 -24.12 29.64 Favored 'General case' 0 C--N 1.351 0.643 0 O-C-N 124.45 1.094 . . . . 0.0 111.703 176.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.733 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -83.11 -51.51 7.46 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 124.629 1.206 . . . . 0.0 108.487 178.789 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -65.58 -34.44 78.24 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 112.313 -2.221 . . . . 0.0 111.956 -178.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.72 -28.94 65.1 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 124.177 0.923 . . . . 0.0 111.199 173.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.658 ' SG ' HD23 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -88.95 -1.47 58.12 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 124.714 1.259 . . . . 0.0 112.192 176.042 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 61.57 66.49 0.85 Allowed 'General case' 0 C--N 1.357 0.899 0 O-C-N 124.373 1.045 . . . . 0.0 111.308 -174.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 31.12 42.46 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 113.3 -1.773 . . . . 0.0 114.015 175.092 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.478 HD21 ' HA ' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -86.89 -17.96 32.01 Favored 'General case' 0 C--N 1.348 0.515 0 CA-C-N 113.326 -1.761 . . . . 0.0 111.159 -164.669 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . 0.298 0.5 OUTLIER 84.64 -73.24 0.03 OUTLIER 'General case' 0 C--N 1.346 0.423 0 O-C-N 125.52 1.763 . . . . 0.0 111.075 172.516 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -62.83 -45.02 94.55 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 125.981 2.051 . . . . 0.0 111.241 176.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.658 HD23 ' SG ' ' A' ' 26' ' ' CYS . 2.2 tp -66.44 -30.33 70.66 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 125.145 1.528 . . . . 0.0 111.328 -178.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.713 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -71.57 -37.78 71.02 Favored 'General case' 0 C--N 1.349 0.58 0 CA-C-N 113.272 -1.785 . . . . 0.0 111.554 179.197 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.3 11.74 1.44 Allowed 'General case' 0 CA--C 1.548 0.898 0 O-C-N 124.811 1.32 . . . . 0.0 111.713 173.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -118.58 -24.94 6.58 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 114.299 -1.319 . . . . 0.0 109.709 173.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -87.7 -20.67 25.94 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 114.834 -1.076 . . . . 0.0 110.02 174.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.823 HD13 HD22 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -88.66 -39.49 13.99 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 114.468 -1.242 . . . . 0.0 110.263 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.423 HD21 HD22 ' A' ' 12' ' ' LEU . 5.4 mt -108.4 -6.85 16.02 Favored 'General case' 0 C--N 1.348 0.512 0 O-C-N 125.259 1.6 . . . . 0.0 111.651 -169.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -142.93 15.95 1.93 Allowed 'General case' 0 CA--C 1.54 0.593 0 O-C-N 124.773 1.296 . . . . 0.0 110.785 -177.257 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -33.04 88.81 0.0 OUTLIER 'General case' 0 C--N 1.365 1.251 0 O-C-N 125.822 1.951 . . . . 0.0 111.724 -177.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -83.22 -169.26 2.45 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 112.966 -1.925 . . . . 0.0 107.679 -174.69 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 67.31 157.22 0.12 Allowed 'General case' 0 C--N 1.349 0.574 0 O-C-N 125.021 1.451 . . . . 0.0 109.844 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -120.08 -60.27 1.71 Allowed 'General case' 0 C--N 1.349 0.584 0 CA-C-N 113.467 -1.697 . . . . 0.0 108.784 -178.041 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -140.42 -69.91 0.39 Allowed 'General case' 0 C--N 1.356 0.856 0 O-C-N 125.047 1.467 . . . . 0.0 109.629 -175.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.544 0.737 0 CA-C-N 113.308 -1.769 . . . . 0.0 110.118 -178.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.437 ' HB1' HD11 ' A' ' 9' ' ' LEU . . . . . . . . 0 C--O 1.213 -0.847 0 CA-C-O 119.299 -0.381 . . . . 0.0 110.557 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.5 mm -63.67 -12.16 10.52 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.113 0 C-N-CA 119.387 -0.925 . . . . 0.0 111.722 -173.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -106.91 -28.36 10.13 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 114.531 -1.213 . . . . 0.0 111.266 177.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.12 -21.48 43.17 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 124.464 1.102 . . . . 0.0 111.67 -179.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.818 ' HA ' HD12 ' A' ' 12' ' ' LEU . 22.9 mt -89.16 -31.2 18.08 Favored 'General case' 0 C--N 1.346 0.452 0 CA-C-N 113.273 -1.785 . . . . 0.0 108.873 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.59 -31.88 47.35 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 111.436 -2.62 . . . . 0.0 110.169 176.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.94 -21.29 57.19 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 114.214 -1.357 . . . . 0.0 111.819 -176.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.818 HD12 ' HA ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -56.08 -22.85 30.17 Favored 'General case' 0 CA--C 1.555 1.146 0 O-C-N 125.056 1.473 . . . . 0.0 111.053 169.298 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.74 6.46 8.58 Favored Glycine 0 CA--C 1.539 1.575 0 O-C-N 124.699 1.249 . . . . 0.0 112.911 175.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.631 ' HB3' HD11 ' A' ' 18' ' ' LEU . 86.9 m-85 -98.03 162.8 20.93 Favored Pre-proline 0 C--N 1.347 0.474 0 O-C-N 124.423 0.719 . . . . 0.0 110.648 -175.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -78.57 141.36 17.53 Favored 'Trans proline' 0 C--N 1.359 1.117 0 C-N-CA 123.386 2.724 . . . . 0.0 113.076 173.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.43 -20.13 2.64 Favored 'General case' 0 CA--C 1.551 0.983 0 O-C-N 124.485 1.116 . . . . 0.0 113.809 -178.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 t -72.09 -38.63 69.33 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 113.998 -1.456 . . . . 0.0 111.663 -175.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.778 HD12 ' N ' ' A' ' 19' ' ' VAL . 0.3 OUTLIER -76.83 -26.06 53.93 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 118.757 -1.177 . . . . 0.0 111.176 173.896 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.778 ' N ' HD12 ' A' ' 18' ' ' LEU . 37.2 t -65.84 -51.57 59.95 Favored 'Isoleucine or valine' 0 C--N 1.353 0.742 0 O-C-N 125.473 1.733 . . . . 0.0 109.197 -168.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -50.97 -53.12 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 111.556 -2.566 . . . . 0.0 111.4 178.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -86.83 -3.06 59.02 Favored 'General case' 0 C--O 1.218 -0.569 0 O-C-N 125.656 1.848 . . . . 0.0 112.095 -172.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.21 -18.25 19.37 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 124.558 1.161 . . . . 0.0 110.819 173.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.701 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.2 t80 -88.96 -59.07 2.33 Favored 'General case' 0 C--N 1.347 0.475 0 O-C-N 124.329 1.018 . . . . 0.0 108.371 177.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -57.88 -34.16 69.48 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 112.702 -2.045 . . . . 0.0 112.506 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.54 -34.02 65.0 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 119.546 -0.861 . . . . 0.0 111.171 177.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.612 ' SG ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -88.58 15.07 8.59 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.648 1.218 . . . . 0.0 112.016 179.237 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 61.63 69.04 0.67 Allowed 'General case' 0 C--N 1.358 0.974 0 CA-C-O 121.894 0.854 . . . . 0.0 110.134 -174.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.465 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 26.45 45.66 0.01 OUTLIER 'General case' 0 CA--C 1.565 1.536 0 CA-C-N 113.268 -1.787 . . . . 0.0 114.431 176.357 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -107.44 140.48 40.33 Favored 'General case' 0 C--O 1.212 -0.914 0 CA-C-N 114.075 -1.421 . . . . 0.0 108.527 -167.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.8 -58.11 3.96 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 124.834 1.334 . . . . 0.0 111.058 -177.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.17 -46.57 80.3 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 113.886 -1.506 . . . . 0.0 111.42 -174.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.612 HD23 ' SG ' ' A' ' 26' ' ' CYS . 3.8 tp -67.13 -31.32 71.69 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 113.474 -1.694 . . . . 0.0 111.707 -177.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.682 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -72.03 -37.44 69.75 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 124.87 1.356 . . . . 0.0 111.901 176.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.54 9.44 1.76 Allowed 'General case' 0 CA--C 1.548 0.897 0 O-C-N 124.521 1.138 . . . . 0.0 112.022 173.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -113.93 -30.97 6.55 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 114.167 -1.379 . . . . 0.0 109.105 171.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -78.69 -21.14 48.64 Favored 'General case' 0 CA--C 1.557 1.245 0 CA-C-O 123.177 1.465 . . . . 0.0 109.966 175.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.688 ' CD1' HD22 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -92.32 -36.56 13.12 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 113.771 -1.559 . . . . 0.0 110.512 -176.726 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.595 HD21 HD22 ' A' ' 12' ' ' LEU . 6.2 mt . . . . . 0 C--N 1.347 0.486 0 O-C-N 125.114 1.509 . . . . 0.0 111.25 -168.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.213 -0.843 0 CA-C-O 119.167 -0.444 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.414 HG22 ' HG2' ' A' ' 16' ' ' GLU . 14.3 mt -69.4 -9.18 11.76 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.024 0 C-N-CA 118.974 -1.091 . . . . 0.0 112.144 -172.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -105.14 -27.15 11.77 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 123.898 0.749 . . . . 0.0 110.955 174.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.04 -23.81 38.31 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 124.705 1.253 . . . . 0.0 111.021 -178.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.881 ' HA ' HD12 ' A' ' 12' ' ' LEU . 32.2 mt -84.4 -29.9 25.82 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 112.922 -1.945 . . . . 0.0 109.063 178.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.55 -31.23 37.01 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 112.117 -2.31 . . . . 0.0 110.04 178.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.64 -20.52 59.86 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 113.75 -1.568 . . . . 0.0 111.591 -176.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.881 HD12 ' HA ' ' A' ' 9' ' ' LEU . 1.5 mt -57.97 -21.41 44.34 Favored 'General case' 0 CA--C 1.556 1.187 0 O-C-N 125.054 1.471 . . . . 0.0 110.875 169.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 123.9 12.31 4.51 Favored Glycine 0 CA--C 1.546 2.007 0 O-C-N 124.473 1.108 . . . . 0.0 113.055 175.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.674 ' HB3' HD11 ' A' ' 18' ' ' LEU . 53.7 m-85 -107.9 161.02 24.72 Favored Pre-proline 0 CA--C 1.544 0.735 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 -172.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.592 ' O ' HG23 ' A' ' 19' ' ' VAL . 96.9 Cg_endo -84.64 148.76 11.21 Favored 'Trans proline' 0 CA--C 1.547 1.169 0 C-N-CA 124.932 3.754 . . . . 0.0 113.3 170.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.414 ' HG2' HG22 ' A' ' 6' ' ' ILE . 31.2 mt-10 -52.67 -17.85 1.51 Allowed 'General case' 0 C--N 1.361 1.093 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.82 -44.18 50.68 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 124.284 0.99 . . . . 0.0 112.103 -174.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.674 HD11 ' HB3' ' A' ' 14' ' ' PHE . 1.9 pp -83.5 -20.12 34.52 Favored 'General case' 0 C--N 1.355 0.814 0 O-C-N 124.417 1.073 . . . . 0.0 111.14 177.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 15' ' ' PRO . 21.1 t -66.79 -49.56 73.24 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 O-C-N 125.382 1.676 . . . . 0.0 110.014 -178.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -56.18 -54.04 32.24 Favored 'Isoleucine or valine' 0 C--N 1.351 0.641 0 CA-C-N 113.01 -1.905 . . . . 0.0 110.75 -177.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -71.95 -23.08 61.39 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 112.785 -2.007 . . . . 0.0 110.655 -177.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.68 -48.42 59.77 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 118.627 -1.229 . . . . 0.0 110.787 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.79 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -62.52 -50.91 69.5 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 124.502 1.126 . . . . 0.0 110.212 -178.392 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -62.53 -37.82 87.58 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 112.366 -2.197 . . . . 0.0 112.126 -177.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.77 -29.87 63.66 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 124.392 1.058 . . . . 0.0 110.977 176.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.565 ' SG ' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -91.57 8.89 34.47 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 124.935 1.397 . . . . 0.0 112.04 177.919 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 62.37 74.32 0.44 Allowed 'General case' 0 C--N 1.359 1.02 0 O-C-N 123.823 0.702 . . . . 0.0 111.067 -175.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.447 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 27.21 42.0 0.0 OUTLIER 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 126.119 1.768 . . . . 0.0 114.291 -179.842 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.462 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -102.13 149.23 24.49 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 114.836 -1.075 . . . . 0.0 108.188 -170.62 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.43 -54.6 4.1 Favored 'General case' 0 C--N 1.345 0.398 0 O-C-N 125.229 1.581 . . . . 0.0 110.36 -173.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -67.0 -45.82 76.42 Favored 'General case' 0 C--N 1.347 0.464 0 CA-C-N 113.348 -1.751 . . . . 0.0 110.928 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.565 HD23 ' SG ' ' A' ' 26' ' ' CYS . 3.7 tp -65.87 -32.68 74.33 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 125.206 1.566 . . . . 0.0 111.363 -177.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.692 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -71.25 -36.57 71.82 Favored 'General case' 0 C--N 1.354 0.804 0 O-C-N 125.135 1.522 . . . . 0.0 112.215 176.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.43 10.73 1.5 Allowed 'General case' 0 CA--C 1.549 0.931 0 O-C-N 124.541 1.151 . . . . 0.0 111.844 173.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -116.31 -30.43 5.93 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 113.951 -1.477 . . . . 0.0 109.277 172.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -79.89 -23.36 41.9 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-O 122.82 1.295 . . . . 0.0 109.272 175.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.692 HD12 ' O ' ' A' ' 33' ' ' ALA . 0.6 OUTLIER -86.21 -42.53 13.74 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 113.877 -1.51 . . . . 0.0 110.281 -178.701 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.558 HD11 HD22 ' A' ' 12' ' ' LEU . 6.8 mt . . . . . 0 CA--C 1.544 0.728 0 CA-C-N 113.719 -1.582 . . . . 0.0 112.47 -166.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.21 -0.987 0 CA-C-O 119.115 -0.469 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.6 mt -56.78 -44.65 82.19 Favored 'Isoleucine or valine' 0 C--N 1.359 1.012 0 C-N-CA 118.52 -1.272 . . . . 0.0 111.199 -175.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.22 -23.6 54.59 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 119.019 -1.072 . . . . 0.0 112.361 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.11 -23.33 38.46 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 114.351 -1.295 . . . . 0.0 111.506 -176.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.792 ' HA ' HD12 ' A' ' 12' ' ' LEU . 15.6 mt -88.71 -29.31 19.95 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 112.973 -1.921 . . . . 0.0 108.338 178.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.0 -32.39 57.16 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 112.949 -1.932 . . . . 0.0 110.019 176.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.76 -21.65 59.22 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-N 113.665 -1.607 . . . . 0.0 111.652 -174.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.792 HD12 ' HA ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -57.51 -23.87 52.72 Favored 'General case' 0 CA--C 1.555 1.159 0 O-C-N 124.896 1.372 . . . . 0.0 110.883 169.293 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.16 -1.52 5.79 Favored Glycine 0 CA--C 1.545 1.957 0 O-C-N 124.668 1.23 . . . . 0.0 113.182 175.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.579 ' HB3' HD11 ' A' ' 18' ' ' LEU . 67.1 m-85 -93.54 163.22 25.26 Favored Pre-proline 0 C--O 1.204 -1.297 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -175.092 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -81.87 143.9 13.38 Favored 'Trans proline' 0 C--N 1.379 2.153 0 C-N-CA 123.231 2.621 . . . . 0.0 113.158 170.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -53.86 -20.02 5.28 Favored 'General case' 0 C--N 1.363 1.163 0 O-C-N 124.088 0.867 . . . . 0.0 113.111 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 43.1 t -70.9 -44.35 66.44 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.819 -177.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.579 HD11 ' HB3' ' A' ' 14' ' ' PHE . 1.4 pp -78.43 -22.9 47.01 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 124.224 0.953 . . . . 0.0 111.029 176.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.529 ' N ' HD12 ' A' ' 18' ' ' LEU . 25.0 t -66.74 -50.42 65.87 Favored 'Isoleucine or valine' 0 C--N 1.352 0.706 0 O-C-N 125.48 1.737 . . . . 0.0 110.001 -175.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -52.36 -53.35 19.78 Favored 'Isoleucine or valine' 0 C--N 1.349 0.576 0 O-C-N 125.77 1.918 . . . . 0.0 110.951 -176.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -76.7 -21.98 54.59 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 112.726 -2.034 . . . . 0.0 111.09 -177.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.4 -22.13 44.71 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 119.219 -0.992 . . . . 0.0 112.023 178.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.771 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.2 t80 -85.96 -50.49 7.04 Favored 'General case' 0 C--N 1.346 0.438 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 178.13 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -65.51 -35.27 80.37 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 111.611 -2.54 . . . . 0.0 111.308 -174.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.27 -31.83 66.12 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 123.984 0.802 . . . . 0.0 110.867 175.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.598 ' SG ' HD22 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -89.09 13.25 13.5 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 124.647 1.217 . . . . 0.0 112.471 178.708 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 64.52 67.12 0.58 Allowed 'General case' 0 C--N 1.359 1.015 0 CA-C-O 122.356 1.074 . . . . 0.0 110.028 -177.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 30.92 41.99 0.01 OUTLIER 'General case' 0 CA--C 1.563 1.479 0 CA-C-N 112.728 -2.033 . . . . 0.0 114.383 178.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.439 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.7 OUTLIER -104.26 147.31 27.63 Favored 'General case' 0 C--O 1.209 -1.04 0 CA-C-N 114.625 -1.17 . . . . 0.0 108.445 -168.24 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.31 -51.61 6.46 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 125.251 1.594 . . . . 0.0 109.926 -174.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -67.91 -46.51 71.35 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 113.724 -1.58 . . . . 0.0 111.041 -178.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.598 HD22 ' SG ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -67.96 -34.27 76.23 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 125.083 1.489 . . . . 0.0 110.243 -177.39 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.655 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -67.31 -37.61 83.63 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 124.313 1.008 . . . . 0.0 111.831 176.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.17 13.06 0.76 Allowed 'General case' 0 CA--C 1.55 0.967 0 O-C-N 124.758 1.286 . . . . 0.0 111.921 173.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.34 -35.35 4.66 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 114.125 -1.398 . . . . 0.0 108.447 171.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -80.16 -18.51 49.53 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.378 178.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.721 HD13 HD22 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -93.06 -37.72 12.01 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 113.922 -1.49 . . . . 0.0 110.322 -178.491 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.514 HD21 HD22 ' A' ' 12' ' ' LEU . 5.9 mt . . . . . 0 C--N 1.349 0.583 0 O-C-N 124.991 1.432 . . . . 0.0 111.586 -168.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.211 -0.936 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.211 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.4 mm -55.74 -44.15 76.2 Favored 'Isoleucine or valine' 0 C--N 1.359 1.008 0 C-N-CA 119.231 -0.988 . . . . 0.0 110.74 -173.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.19 -23.97 47.34 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 115.157 -0.928 . . . . 0.0 112.975 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.23 -19.23 40.11 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 114.406 -1.27 . . . . 0.0 111.618 -178.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.801 ' HA ' HD12 ' A' ' 12' ' ' LEU . 13.8 mt -90.02 -28.81 18.83 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 113.288 -1.778 . . . . 0.0 108.534 178.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.05 -31.25 44.45 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 112.196 -2.274 . . . . 0.0 110.256 175.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.51 -22.48 57.1 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 113.542 -1.663 . . . . 0.0 111.674 -175.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.801 HD12 ' HA ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -55.94 -22.83 28.4 Favored 'General case' 0 CA--C 1.554 1.115 0 O-C-N 124.994 1.434 . . . . 0.0 110.871 169.552 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.81 -1.95 6.37 Favored Glycine 0 CA--C 1.541 1.677 0 O-C-N 124.667 1.23 . . . . 0.0 113.165 176.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.664 ' HB3' HD11 ' A' ' 18' ' ' LEU . 82.0 m-85 -96.28 163.08 21.56 Favored Pre-proline 0 C--N 1.348 0.526 0 CA-C-N 114.619 -0.791 . . . . 0.0 110.424 -173.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -83.51 143.82 11.11 Favored 'Trans proline' 0 C--N 1.365 1.424 0 C-N-CA 123.201 2.601 . . . . 0.0 112.895 172.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -54.53 -18.46 4.39 Favored 'General case' 0 CA--C 1.557 1.233 0 O-C-N 124.194 0.934 . . . . 0.0 112.821 -178.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.95 -43.6 82.72 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 114.095 -1.411 . . . . 0.0 111.946 -177.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.739 HD12 ' N ' ' A' ' 19' ' ' VAL . 0.8 OUTLIER -79.81 -22.68 42.76 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 124.494 1.121 . . . . 0.0 111.08 176.622 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.739 ' N ' HD12 ' A' ' 18' ' ' LEU . 25.6 t -65.71 -49.16 79.32 Favored 'Isoleucine or valine' 0 C--N 1.354 0.789 0 O-C-N 125.54 1.775 . . . . 0.0 109.664 -173.339 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -51.94 -57.36 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 CA-C-N 112.427 -2.17 . . . . 0.0 109.995 179.227 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -80.24 -2.26 44.24 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 124.599 1.187 . . . . 0.0 112.771 -175.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.75 -20.04 17.13 Favored 'General case' 0 C--N 1.354 0.778 0 O-C-N 124.009 0.818 . . . . 0.0 112.251 176.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.702 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -89.67 -43.85 10.44 Favored 'General case' 0 C--N 1.348 0.526 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 175.026 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -72.16 -37.37 69.39 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-N 112.223 -2.262 . . . . 0.0 111.33 -173.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.61 -25.38 62.15 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 124.349 1.031 . . . . 0.0 111.525 174.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.496 ' SG ' HD23 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -92.57 8.59 38.26 Favored 'General case' 0 C--N 1.351 0.638 0 O-C-N 124.731 1.269 . . . . 0.0 112.615 177.249 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 64.69 70.72 0.48 Allowed 'General case' 0 C--N 1.355 0.825 0 CA-C-O 121.885 0.85 . . . . 0.0 110.526 -177.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.6 mptt 33.32 36.81 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.335 0 CA-C-N 113.285 -1.78 . . . . 0.0 114.478 178.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.494 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 2.6 m-20 -96.38 156.73 16.22 Favored 'General case' 0 C--O 1.212 -0.89 0 CA-C-N 114.009 -1.451 . . . . 0.0 107.811 -170.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.14 -59.54 1.87 Allowed 'General case' 0 C--N 1.35 0.609 0 O-C-N 125.823 1.952 . . . . 0.0 110.288 -173.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.08 -43.65 82.04 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 125.021 1.451 . . . . 0.0 111.025 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.496 HD23 ' SG ' ' A' ' 26' ' ' CYS . 3.4 tp -64.31 -34.15 77.47 Favored 'General case' 0 C--N 1.347 0.48 0 CA-C-N 113.429 -1.714 . . . . 0.0 111.157 -179.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.679 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -68.66 -40.11 80.36 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 125.149 1.531 . . . . 0.0 112.074 176.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.88 9.54 1.48 Allowed 'General case' 0 CA--C 1.546 0.795 0 O-C-N 124.722 1.264 . . . . 0.0 111.585 173.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -113.09 -30.13 7.09 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 114.264 -1.335 . . . . 0.0 109.866 172.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -83.57 -14.97 50.91 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-O 122.497 1.141 . . . . 0.0 110.336 175.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.706 HD13 HD22 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -96.75 -35.72 10.89 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 113.907 -1.497 . . . . 0.0 110.406 -179.391 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.563 HD21 HD22 ' A' ' 12' ' ' LEU . 5.7 mt . . . . . 0 C--N 1.349 0.563 0 O-C-N 125.161 1.538 . . . . 0.0 112.075 -170.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.605 0 CA-C-O 118.931 -0.556 . . . . 0.0 110.002 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.407 ' HA ' HG11 ' A' ' 19' ' ' VAL . 13.2 mt -67.22 -9.55 10.24 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.029 0 C-N-CA 119.101 -1.04 . . . . 0.0 112.202 -173.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -105.83 -26.95 11.53 Favored 'General case' 0 C--N 1.354 0.791 0 O-C-N 123.689 0.618 . . . . 0.0 111.156 174.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.37 -25.11 42.25 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 124.712 1.257 . . . . 0.0 111.016 -177.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.782 HD11 ' CD1' ' A' ' 23' ' ' TYR . 20.8 mt -84.87 -32.48 23.19 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-N 112.482 -2.145 . . . . 0.0 108.305 178.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.23 -29.49 54.11 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 112.862 -1.972 . . . . 0.0 110.695 178.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.28 -20.43 57.36 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 113.453 -1.703 . . . . 0.0 111.525 -175.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.751 HD12 ' HA ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -58.39 -22.89 55.49 Favored 'General case' 0 CA--C 1.555 1.147 0 O-C-N 125.015 1.447 . . . . 0.0 110.989 169.373 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.99 0.28 6.01 Favored Glycine 0 CA--C 1.545 1.927 0 O-C-N 124.843 1.339 . . . . 0.0 113.127 176.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.598 ' HB3' HD11 ' A' ' 18' ' ' LEU . 65.3 m-85 -94.27 163.66 22.57 Favored Pre-proline 0 C--O 1.248 0.993 0 O-C-N 124.1 0.53 . . . . 0.0 110.847 -174.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.617 ' O ' HG23 ' A' ' 19' ' ' VAL . 94.5 Cg_endo -80.93 150.03 18.05 Favored 'Trans proline' 0 CA--C 1.545 1.075 0 C-N-CA 124.792 3.662 . . . . 0.0 113.734 169.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -54.74 -20.19 7.89 Favored 'General case' 0 C--N 1.358 0.957 0 C-N-CA 124.584 1.154 . . . . 0.0 113.42 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.93 -40.42 32.06 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 114.162 -1.381 . . . . 0.0 111.567 -172.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.598 HD11 ' HB3' ' A' ' 14' ' ' PHE . 1.3 pp -81.23 -23.07 38.3 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 124.77 1.294 . . . . 0.0 110.755 176.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 15' ' ' PRO . 25.3 t -65.21 -52.21 55.55 Favored 'Isoleucine or valine' 0 C--N 1.35 0.63 0 O-C-N 125.486 1.741 . . . . 0.0 110.28 -176.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.503 HD13 ' CE1' ' A' ' 24' ' ' PHE . 0.4 OUTLIER -51.87 -57.76 3.18 Favored 'Isoleucine or valine' 0 C--N 1.351 0.667 0 CA-C-N 112.183 -2.28 . . . . 0.0 110.695 179.852 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -72.87 -17.02 61.57 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 113.141 -1.845 . . . . 0.0 111.549 -176.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.71 -24.58 31.17 Favored 'General case' 0 C--N 1.351 0.643 0 O-C-N 124.571 1.169 . . . . 0.0 112.242 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.782 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -83.36 -48.64 10.18 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 118.801 -1.16 . . . . 0.0 108.856 178.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.503 ' CE1' HD13 ' A' ' 20' ' ' ILE . 10.7 m-85 -65.04 -36.66 85.07 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 112.232 -2.258 . . . . 0.0 111.57 -178.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.36 -29.53 66.23 Favored 'General case' 0 C--N 1.357 0.919 0 O-C-N 123.893 0.745 . . . . 0.0 110.871 175.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.502 ' SG ' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -89.87 11.35 20.55 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 124.861 1.35 . . . . 0.0 112.127 176.72 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 59.26 73.82 0.47 Allowed 'General case' 0 C--N 1.357 0.91 0 CA-C-O 122.409 1.1 . . . . 0.0 110.273 -176.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 27.12 50.44 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.197 0 CA-C-N 111.562 -2.563 . . . . 0.0 114.86 176.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.444 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.6 OUTLIER -115.25 149.09 38.32 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-N 114.32 -1.309 . . . . 0.0 108.977 -169.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.01 -51.63 5.5 Favored 'General case' 0 C--O 1.221 -0.407 0 O-C-N 125.241 1.588 . . . . 0.0 111.17 -172.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -67.74 -46.52 71.89 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 113.1 -1.864 . . . . 0.0 110.432 178.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.502 HD23 ' SG ' ' A' ' 26' ' ' CYS . 3.5 tp -65.89 -33.82 76.71 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 125.32 1.638 . . . . 0.0 111.047 -176.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.658 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -71.4 -36.59 71.43 Favored 'General case' 0 C--N 1.355 0.833 0 O-C-N 125.174 1.546 . . . . 0.0 112.129 177.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.14 11.99 1.31 Allowed 'General case' 0 CA--C 1.551 0.981 0 O-C-N 124.635 1.21 . . . . 0.0 111.43 172.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -118.32 -24.08 7.03 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 114.024 -1.444 . . . . 0.0 110.036 173.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -90.1 -19.73 23.99 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 124.192 0.933 . . . . 0.0 110.78 174.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.714 HD13 HD22 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -88.45 -37.48 15.79 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.239 -1.346 . . . . 0.0 109.949 179.186 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.6 HD21 HD22 ' A' ' 12' ' ' LEU . 4.0 mt . . . . . 0 C--N 1.352 0.702 0 O-C-N 125.174 1.546 . . . . 0.0 111.396 -170.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.662 0 CA-C-O 119.491 -0.29 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.411 ' HA ' ' CG1' ' A' ' 19' ' ' VAL . 7.8 mt -66.85 -10.56 11.97 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.044 0 C-N-CA 118.859 -1.136 . . . . 0.0 111.92 -176.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -105.14 -27.8 11.37 Favored 'General case' 0 C--N 1.36 1.027 0 O-C-N 124.381 1.05 . . . . 0.0 111.552 174.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.24 -24.11 37.58 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 124.8 1.312 . . . . 0.0 111.425 -177.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.824 ' HA ' HD12 ' A' ' 12' ' ' LEU . 24.2 mt -84.7 -30.84 24.45 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 112.518 -2.128 . . . . 0.0 109.203 178.121 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.03 -30.83 44.39 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 111.992 -2.367 . . . . 0.0 110.658 178.263 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.35 -21.31 59.75 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 113.089 -1.869 . . . . 0.0 111.657 -177.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.824 HD12 ' HA ' ' A' ' 9' ' ' LEU . 0.9 OUTLIER -57.73 -21.02 38.65 Favored 'General case' 0 CA--C 1.554 1.11 0 CA-C-N 113.87 -1.514 . . . . 0.0 111.258 169.364 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.47 13.76 5.12 Favored Glycine 0 C--N 1.359 1.838 0 O-C-N 124.801 1.313 . . . . 0.0 112.836 176.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.653 ' HB3' HD11 ' A' ' 18' ' ' LEU . 31.6 m-85 -107.64 159.55 29.92 Favored Pre-proline 0 C--O 1.259 1.597 0 CA-C-N 114.325 -0.938 . . . . 0.0 108.775 -172.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.647 ' O ' HG23 ' A' ' 19' ' ' VAL . 80.9 Cg_endo -83.15 146.75 12.74 Favored 'Trans proline' 0 CA--C 1.543 0.928 1 C-N-CA 125.478 4.119 . . . . 0.0 113.199 172.201 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -51.7 -19.17 1.47 Allowed 'General case' 0 C--N 1.36 1.03 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.9 t -74.89 -42.4 57.9 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 124.281 0.988 . . . . 0.0 112.742 -175.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.653 HD11 ' HB3' ' A' ' 14' ' ' PHE . 1.6 pp -83.25 -20.24 34.89 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 114.826 -1.079 . . . . 0.0 110.966 177.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 15' ' ' PRO . 37.0 t -67.46 -51.22 54.31 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 CA-C-N 112.968 -1.924 . . . . 0.0 109.87 -176.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.475 HD13 ' CE1' ' A' ' 24' ' ' PHE . 0.4 OUTLIER -54.66 -53.85 28.13 Favored 'Isoleucine or valine' 0 C--N 1.35 0.608 0 CA-C-N 112.26 -2.245 . . . . 0.0 110.382 -178.867 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -72.29 -20.16 61.56 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 112.393 -2.185 . . . . 0.0 110.866 -174.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.72 -50.51 24.24 Favored 'General case' 0 C--O 1.215 -0.717 0 O-C-N 124.395 1.059 . . . . 0.0 110.79 177.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.769 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -60.18 -52.83 63.65 Favored 'General case' 0 C--N 1.356 0.873 0 O-C-N 124.516 1.135 . . . . 0.0 110.587 -179.163 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.475 ' CE1' HD13 ' A' ' 20' ' ' ILE . 4.0 m-85 -60.22 -39.4 86.5 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 112.299 -2.228 . . . . 0.0 111.556 -177.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.47 -29.66 63.85 Favored 'General case' 0 C--N 1.358 0.966 0 O-C-N 124.286 0.992 . . . . 0.0 111.699 177.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.57 ' SG ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -91.91 12.44 21.66 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 125.0 1.438 . . . . 0.0 111.794 178.453 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 61.02 74.79 0.44 Allowed 'General case' 0 C--N 1.357 0.929 0 O-C-N 123.956 0.785 . . . . 0.0 110.84 -175.161 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 29.82 42.73 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.075 0 CA-C-N 112.889 -1.96 . . . . 0.0 114.85 175.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.438 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.8 OUTLIER -109.91 146.0 35.9 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 114.389 -1.278 . . . . 0.0 108.833 -169.033 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.39 -50.58 7.19 Favored 'General case' 0 C--O 1.22 -0.464 0 O-C-N 125.331 1.644 . . . . 0.0 110.976 -176.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.64 -47.46 69.52 Favored 'General case' 0 C--N 1.348 0.515 0 CA-C-N 112.641 -2.072 . . . . 0.0 110.919 -178.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.57 HD23 ' SG ' ' A' ' 26' ' ' CYS . 3.9 tp -68.26 -32.98 73.54 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 112.913 -1.949 . . . . 0.0 111.773 -177.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.718 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -71.34 -36.24 71.48 Favored 'General case' 0 C--N 1.356 0.88 0 O-C-N 125.025 1.453 . . . . 0.0 111.958 177.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.47 9.24 2.28 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 124.671 1.232 . . . . 0.0 111.803 173.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -115.89 -27.56 6.96 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 113.935 -1.484 . . . . 0.0 109.824 173.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -85.07 -19.9 31.21 Favored 'General case' 0 C--O 1.219 -0.536 0 C-N-CA 119.378 -0.929 . . . . 0.0 110.405 175.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.733 HD13 HD22 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -89.23 -41.02 12.46 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 113.96 -1.473 . . . . 0.0 110.185 179.504 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.653 HD21 HD22 ' A' ' 12' ' ' LEU . 5.8 mt . . . . . 0 C--N 1.35 0.628 0 O-C-N 125.015 1.447 . . . . 0.0 112.444 -170.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.415 ' CB ' ' CZ ' ' A' ' 23' ' ' TYR . . . . . . . . 0 N--CA 1.444 -0.756 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.1 mt -63.01 -13.9 13.01 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.955 0 C-N-CA 118.744 -1.183 . . . . 0.0 112.475 -175.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -103.15 -29.85 11.07 Favored 'General case' 0 C--N 1.357 0.9 0 O-C-N 124.091 0.869 . . . . 0.0 111.312 175.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.32 -22.16 44.92 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 124.617 1.198 . . . . 0.0 111.569 -176.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.794 ' HA ' HD12 ' A' ' 12' ' ' LEU . 22.4 mt -86.97 -32.89 19.84 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 112.69 -2.05 . . . . 0.0 108.52 177.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.26 -30.06 60.35 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 112.859 -1.973 . . . . 0.0 110.274 177.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.07 -21.46 54.39 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 113.316 -1.766 . . . . 0.0 111.606 -175.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.794 HD12 ' HA ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -57.34 -22.66 43.75 Favored 'General case' 0 CA--C 1.553 1.087 0 O-C-N 124.909 1.381 . . . . 0.0 110.994 169.613 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.0 -3.78 6.01 Favored Glycine 0 CA--C 1.542 1.726 0 O-C-N 124.671 1.232 . . . . 0.0 112.906 176.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.611 ' HB3' HD11 ' A' ' 18' ' ' LEU . 70.8 m-85 -92.31 162.77 29.12 Favored Pre-proline 0 C--N 1.35 0.629 0 O-C-N 124.262 0.625 . . . . 0.0 110.307 -174.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.596 ' O ' HG23 ' A' ' 19' ' ' VAL . 90.2 Cg_endo -83.03 148.64 13.48 Favored 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 123.84 3.026 . . . . 0.0 112.411 170.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -54.13 -20.26 6.36 Favored 'General case' 0 CA--C 1.552 1.046 0 O-C-N 124.423 1.077 . . . . 0.0 113.015 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.5 t -71.21 -44.88 64.51 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.038 -0.983 . . . . 0.0 112.358 -176.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.611 HD11 ' HB3' ' A' ' 14' ' ' PHE . 2.1 pp -80.67 -21.64 41.17 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 119.058 -1.057 . . . . 0.0 111.13 177.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 15' ' ' PRO . 24.7 t -65.94 -51.7 57.78 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 O-C-N 125.51 1.756 . . . . 0.0 110.297 -177.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.542 HD13 ' CE1' ' A' ' 24' ' ' PHE . 0.4 OUTLIER -49.87 -58.26 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.601 0 O-C-N 126.125 2.141 . . . . 0.0 110.676 179.713 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -75.12 -18.01 60.31 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 113.211 -1.813 . . . . 0.0 111.24 -174.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.72 -21.4 34.8 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 123.918 0.761 . . . . 0.0 112.599 178.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.786 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -84.45 -47.32 10.76 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 124.241 0.963 . . . . 0.0 108.424 176.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.542 ' CE1' HD13 ' A' ' 20' ' ' ILE . 2.7 m-85 -67.23 -38.18 84.8 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-N 112.084 -2.325 . . . . 0.0 111.528 -176.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.14 -26.34 63.9 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 124.487 1.117 . . . . 0.0 111.132 175.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.422 ' SG ' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -97.31 10.03 40.67 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 124.808 1.317 . . . . 0.0 112.397 177.139 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 62.27 74.53 0.43 Allowed 'General case' 0 C--N 1.358 0.947 0 O-C-N 123.987 0.805 . . . . 0.0 111.259 -177.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.458 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.4 OUTLIER 25.85 41.59 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 126.288 1.835 . . . . 0.0 114.726 179.426 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.515 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -103.03 151.73 22.17 Favored 'General case' 0 C--O 1.216 -0.67 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -170.026 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.55 -56.37 3.38 Favored 'General case' 0 C--O 1.221 -0.417 0 O-C-N 124.999 1.437 . . . . 0.0 110.577 -174.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -64.92 -47.35 78.05 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 113.315 -1.766 . . . . 0.0 111.25 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.422 HD23 ' SG ' ' A' ' 26' ' ' CYS . 3.9 tp -64.08 -35.88 82.18 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-N 113.289 -1.778 . . . . 0.0 111.139 -177.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.642 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -68.19 -37.05 80.5 Favored 'General case' 0 C--N 1.353 0.734 0 O-C-N 125.172 1.545 . . . . 0.0 112.714 178.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.52 13.05 0.84 Allowed 'General case' 0 CA--C 1.549 0.905 0 O-C-N 124.769 1.293 . . . . 0.0 111.571 173.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -118.24 -29.89 5.42 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 114.017 -1.447 . . . . 0.0 109.6 172.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.401 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 11.4 t80 -80.99 -21.91 39.88 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 119.549 -0.86 . . . . 0.0 110.563 175.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.734 HD13 HD22 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -90.67 -37.81 13.5 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.139 -1.391 . . . . 0.0 110.92 -177.479 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.518 HD21 HD22 ' A' ' 12' ' ' LEU . 4.8 mt . . . . . 0 C--N 1.352 0.705 0 O-C-N 125.067 1.479 . . . . 0.0 111.393 -170.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.79 0 CA-C-O 118.619 -0.705 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 44.1 mt -64.68 -12.39 12.68 Favored 'Isoleucine or valine' 0 C--N 1.358 0.974 0 C-N-CA 119.251 -0.98 . . . . 0.0 112.073 -173.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -106.7 -25.6 11.68 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-N 114.665 -1.152 . . . . 0.0 111.059 176.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.43 -21.87 44.97 Favored 'General case' 0 CA--C 1.547 0.827 0 O-C-N 124.458 1.099 . . . . 0.0 111.775 178.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.859 ' HA ' HD12 ' A' ' 12' ' ' LEU . 22.0 mt -90.14 -30.23 17.77 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 112.964 -1.925 . . . . 0.0 109.081 -178.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.75 -31.35 40.99 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 111.549 -2.569 . . . . 0.0 109.924 176.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.0 -20.24 58.01 Favored 'General case' 0 C--N 1.356 0.889 0 CA-C-N 113.548 -1.66 . . . . 0.0 111.829 -176.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.859 HD12 ' HA ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -56.42 -21.56 26.01 Favored 'General case' 0 CA--C 1.555 1.16 0 O-C-N 125.031 1.457 . . . . 0.0 110.962 169.166 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 127.46 -1.1 7.0 Favored Glycine 0 CA--C 1.543 1.837 0 O-C-N 124.603 1.189 . . . . 0.0 112.822 174.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.965 ' HB3' HD11 ' A' ' 18' ' ' LEU . 82.3 m-85 -100.66 163.11 18.74 Favored Pre-proline 0 C--O 1.25 1.098 0 CA-C-N 114.47 -0.865 . . . . 0.0 110.5 -170.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.557 ' HD2' HD21 ' A' ' 18' ' ' LEU . 72.6 Cg_endo -80.77 157.24 21.21 Favored 'Trans proline' 0 C--N 1.357 0.99 0 C-N-CA 124.516 3.478 . . . . 0.0 113.225 175.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.24 -16.16 51.73 Favored 'General case' 0 CA--C 1.552 1.046 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 -176.239 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.34 -40.53 58.22 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 114.011 -1.45 . . . . 0.0 111.86 -170.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.965 HD11 ' HB3' ' A' ' 14' ' ' PHE . 1.9 pp -80.04 -25.78 40.02 Favored 'General case' 0 C--N 1.357 0.901 0 O-C-N 124.73 1.268 . . . . 0.0 110.7 175.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 15' ' ' PRO . 41.1 t -62.19 -54.44 34.35 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.619 0 O-C-N 125.259 1.599 . . . . 0.0 110.54 -175.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -51.65 -53.75 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 CA-C-N 112.335 -2.211 . . . . 0.0 111.15 -178.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -79.32 -13.06 59.89 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 112.899 -1.955 . . . . 0.0 112.175 -174.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.96 -15.51 27.89 Favored 'General case' 0 C--N 1.351 0.654 0 O-C-N 124.218 0.949 . . . . 0.0 111.574 177.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.735 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.1 t80 -90.55 -61.98 1.56 Allowed 'General case' 0 C--N 1.349 0.564 0 O-C-N 124.626 1.204 . . . . 0.0 107.756 177.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -56.2 -33.56 65.43 Favored 'General case' 0 CA--C 1.549 0.939 0 O-C-N 126.109 2.131 . . . . 0.0 113.269 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.75 -32.14 59.86 Favored 'General case' 0 C--N 1.359 0.984 0 C-N-CA 119.076 -1.049 . . . . 0.0 111.398 177.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.513 ' SG ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -92.85 17.79 9.99 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 124.782 1.301 . . . . 0.0 111.82 -179.713 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 60.93 69.36 0.68 Allowed 'General case' 0 C--N 1.36 1.048 0 CA-C-O 122.145 0.974 . . . . 0.0 110.627 -176.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.421 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 26.44 43.06 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.135 0 CA-C-N 112.234 -2.257 . . . . 0.0 114.571 176.369 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -105.09 145.21 30.83 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 -167.083 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.16 -44.0 14.41 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 124.84 1.337 . . . . 0.0 110.454 -173.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -70.41 -48.5 55.81 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 113.04 -1.891 . . . . 0.0 110.885 -179.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.513 HD23 ' SG ' ' A' ' 26' ' ' CYS . 5.2 tp -69.92 -30.46 67.87 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-N 113.389 -1.732 . . . . 0.0 112.051 -175.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.679 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -73.97 -37.73 64.4 Favored 'General case' 0 C--N 1.356 0.876 0 O-C-N 125.215 1.572 . . . . 0.0 111.388 176.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.32 9.69 1.58 Allowed 'General case' 0 CA--C 1.545 0.771 0 O-C-N 124.573 1.17 . . . . 0.0 111.925 173.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -111.86 -35.75 5.62 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 114.025 -1.443 . . . . 0.0 109.031 169.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -82.11 -6.55 59.27 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-O 121.806 0.812 . . . . 0.0 112.36 178.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.726 HD23 HD13 ' A' ' 18' ' ' LEU . 2.0 mt -99.89 -40.1 7.85 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 113.982 -1.463 . . . . 0.0 109.577 178.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.818 HD21 HD22 ' A' ' 12' ' ' LEU . 8.5 mt . . . . . 0 C--N 1.352 0.694 0 CA-C-N 113.284 -1.78 . . . . 0.0 111.955 -168.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.443 ' CB ' ' CZ ' ' A' ' 23' ' ' TYR . . . . . . . . 0 N--CA 1.447 -0.623 0 CA-C-O 119.235 -0.412 . . . . 0.0 110.216 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.419 ' CG2' ' HG3' ' A' ' 16' ' ' GLU . 14.2 mt -60.32 -15.28 9.94 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 C-N-CA 118.696 -1.201 . . . . 0.0 112.689 -175.398 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -101.33 -28.98 12.31 Favored 'General case' 0 C--N 1.355 0.844 0 O-C-N 124.071 0.857 . . . . 0.0 111.434 175.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.42 -21.44 55.96 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 124.574 1.171 . . . . 0.0 111.544 -178.203 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.9 ' HA ' HD12 ' A' ' 12' ' ' LEU . 18.0 mt -92.29 -28.12 17.17 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-N 112.958 -1.928 . . . . 0.0 109.174 -178.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.16 -28.18 38.85 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 111.88 -2.418 . . . . 0.0 110.201 175.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.21 -19.04 51.76 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 113.354 -1.748 . . . . 0.0 111.328 -176.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.9 HD12 ' HA ' ' A' ' 9' ' ' LEU . 1.0 OUTLIER -56.47 -21.49 26.04 Favored 'General case' 0 C--N 1.356 0.877 0 O-C-N 124.998 1.436 . . . . 0.0 111.432 168.198 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 126.73 -1.51 7.42 Favored Glycine 0 C--N 1.354 1.574 0 O-C-N 125.065 1.478 . . . . 0.0 112.033 177.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.436 ' HB3' HD11 ' A' ' 18' ' ' LEU . 18.0 m-30 -101.02 164.64 15.68 Favored Pre-proline 0 C--O 1.252 1.22 0 CA-C-N 113.862 -1.169 . . . . 0.0 110.074 -167.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.543 ' O ' HG23 ' A' ' 19' ' ' VAL . 93.9 Cg_endo -87.93 149.35 7.05 Favored 'Trans proline' 0 CA--C 1.537 0.661 0 C-N-CA 124.87 3.714 . . . . 0.0 112.601 175.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.419 ' HG3' ' CG2' ' A' ' 6' ' ' ILE . 27.5 tt0 -54.87 -16.23 2.52 Favored 'General case' 0 CA--C 1.556 1.176 0 CA-C-N 114.529 -1.214 . . . . 0.0 113.648 -179.207 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.64 -46.98 51.32 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 114.965 -1.016 . . . . 0.0 112.117 -175.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.524 HD13 HD23 ' A' ' 37' ' ' LEU . 2.8 pp -80.31 -22.55 41.41 Favored 'General case' 0 C--N 1.358 0.959 0 O-C-N 124.594 1.184 . . . . 0.0 111.155 177.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 15' ' ' PRO . 23.6 t -65.34 -51.01 69.8 Favored 'Isoleucine or valine' 0 C--N 1.35 0.611 0 O-C-N 125.634 1.834 . . . . 0.0 110.23 -177.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.472 HD13 ' CE1' ' A' ' 24' ' ' PHE . 0.4 OUTLIER -51.83 -55.63 8.66 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 CA-C-N 112.731 -2.031 . . . . 0.0 110.242 -178.88 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -76.31 -16.52 59.75 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 112.842 -1.981 . . . . 0.0 111.6 -173.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.61 -25.97 30.37 Favored 'General case' 0 C--O 1.217 -0.63 0 O-C-N 124.438 1.086 . . . . 0.0 112.295 177.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.75 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.8 OUTLIER -81.2 -48.49 12.01 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 124.286 0.991 . . . . 0.0 108.45 178.004 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.472 ' CE1' HD13 ' A' ' 20' ' ' ILE . 2.8 m-85 -64.3 -38.29 90.52 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 111.391 -2.64 . . . . 0.0 111.164 -176.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.5 -29.57 64.95 Favored 'General case' 0 C--N 1.358 0.963 0 O-C-N 124.141 0.901 . . . . 0.0 111.427 176.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.492 ' SG ' ' HB2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -92.51 13.22 20.36 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 124.78 1.3 . . . . 0.0 112.229 178.015 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 60.94 72.01 0.54 Allowed 'General case' 0 C--N 1.357 0.913 0 CA-C-O 122.035 0.921 . . . . 0.0 110.394 -177.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.404 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 32.79 41.44 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 112.678 -2.056 . . . . 0.0 115.312 174.232 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.433 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.7 OUTLIER -108.71 147.34 32.1 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-N 114.259 -1.337 . . . . 0.0 109.058 -168.51 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.93 -50.75 6.23 Favored 'General case' 0 C--O 1.219 -0.521 0 O-C-N 125.295 1.622 . . . . 0.0 110.923 -172.327 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -70.64 -45.05 65.9 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 112.578 -2.101 . . . . 0.0 110.666 178.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.448 HD23 ' SG ' ' A' ' 26' ' ' CYS . 3.5 tp -64.26 -36.99 85.9 Favored 'General case' 0 C--N 1.356 0.851 0 O-C-N 125.325 1.64 . . . . 0.0 110.891 -177.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.679 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -69.86 -40.29 75.84 Favored 'General case' 0 C--N 1.357 0.913 0 O-C-N 125.461 1.726 . . . . 0.0 112.426 179.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.34 9.22 1.37 Allowed 'General case' 0 CA--C 1.55 0.955 0 O-C-N 124.522 1.139 . . . . 0.0 112.043 174.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -116.45 -28.14 6.56 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 113.837 -1.529 . . . . 0.0 109.05 172.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.492 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 23.6 t80 -85.91 -11.75 52.4 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-O 122.533 1.158 . . . . 0.0 110.695 177.252 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.735 ' CD1' HD22 ' A' ' 9' ' ' LEU . 2.3 mt -96.54 -44.79 7.01 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 113.5 -1.682 . . . . 0.0 108.64 -179.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.88 HD21 HD22 ' A' ' 12' ' ' LEU . 7.2 mt . . . . . 0 C--N 1.352 0.678 0 CA-C-N 113.526 -1.67 . . . . 0.0 113.574 -170.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.429 ' CB ' ' CZ ' ' A' ' 23' ' ' TYR . . . . . . . . 0 C--O 1.212 -0.883 0 CA-C-O 119.568 -0.253 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.6 mt -65.51 -11.25 11.8 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 C-N-CA 118.711 -1.196 . . . . 0.0 111.846 -177.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.63 -25.72 12.14 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 124.153 0.908 . . . . 0.0 111.024 176.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.29 -24.04 30.06 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 124.58 1.175 . . . . 0.0 111.236 -177.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.882 ' HA ' HD12 ' A' ' 12' ' ' LEU . 16.7 mt -86.97 -33.22 19.71 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 112.604 -2.089 . . . . 0.0 108.274 177.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -35.11 67.03 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 112.921 -1.945 . . . . 0.0 110.117 175.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.79 -20.77 56.05 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-N 114.024 -1.443 . . . . 0.0 111.652 -173.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.882 HD12 ' HA ' ' A' ' 9' ' ' LEU . 2.0 mt -56.86 -23.13 42.05 Favored 'General case' 0 CA--C 1.555 1.137 0 O-C-N 125.235 1.584 . . . . 0.0 110.924 169.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.55 -5.98 5.89 Favored Glycine 0 CA--C 1.539 1.57 0 O-C-N 124.734 1.271 . . . . 0.0 112.794 176.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.551 ' HB3' HD11 ' A' ' 18' ' ' LEU . 83.7 m-85 -91.93 162.6 30.37 Favored Pre-proline 0 C--O 1.237 0.44 0 O-C-N 124.514 0.773 . . . . 0.0 110.306 -174.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.608 ' O ' HG23 ' A' ' 19' ' ' VAL . 93.7 Cg_endo -83.51 147.62 12.53 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 124.275 3.317 . . . . 0.0 112.71 171.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -54.56 -19.51 6.07 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 124.3 1.0 . . . . 0.0 113.177 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.9 t -70.15 -44.59 68.52 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.984 -176.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.551 HD11 ' HB3' ' A' ' 14' ' ' PHE . 2.2 pp -81.67 -22.24 37.63 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 124.375 1.047 . . . . 0.0 111.608 177.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 15' ' ' PRO . 24.5 t -66.45 -52.83 42.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 O-C-N 125.521 1.763 . . . . 0.0 109.642 -175.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -51.63 -53.12 17.93 Favored 'Isoleucine or valine' 0 C--N 1.348 0.526 0 O-C-N 125.775 1.922 . . . . 0.0 111.704 -178.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -77.36 -23.15 50.86 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 112.434 -2.166 . . . . 0.0 110.429 -174.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.17 -28.31 57.29 Favored 'General case' 0 C--N 1.35 0.623 0 O-C-N 124.834 1.334 . . . . 0.0 111.451 177.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.778 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -78.88 -56.08 4.66 Favored 'General case' 0 C--N 1.346 0.421 0 O-C-N 124.6 1.188 . . . . 0.0 108.971 -179.26 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -60.6 -34.42 74.19 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 112.229 -2.26 . . . . 0.0 111.555 -178.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.73 -36.62 78.63 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 124.057 0.848 . . . . 0.0 110.905 174.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.697 ' SG ' HD22 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -84.26 4.05 32.64 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.781 1.301 . . . . 0.0 112.222 176.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 58.11 63.85 1.65 Allowed 'General case' 0 C--N 1.359 0.981 0 O-C-N 124.332 1.02 . . . . 0.0 111.094 -174.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.498 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 27.14 45.63 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 112.068 -2.333 . . . . 0.0 114.614 173.523 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -87.18 -17.48 32.57 Favored 'General case' 0 C--N 1.347 0.473 0 CA-C-N 112.474 -2.148 . . . . 0.0 110.919 -165.199 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . 0.273 0.9 OUTLIER 85.66 -70.3 0.03 OUTLIER 'General case' 0 C--N 1.349 0.549 0 O-C-N 125.668 1.855 . . . . 0.0 111.1 173.205 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -64.46 -45.0 89.31 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 112.83 -1.986 . . . . 0.0 110.843 176.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.697 HD22 ' SG ' ' A' ' 26' ' ' CYS . 0.2 OUTLIER -67.65 -31.13 70.91 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 124.695 1.247 . . . . 0.0 110.728 -179.269 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.684 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -67.97 -39.19 83.39 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-N 114.034 -1.439 . . . . 0.0 111.924 178.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.25 8.77 1.96 Allowed 'General case' 0 CA--C 1.548 0.903 0 O-C-N 124.842 1.338 . . . . 0.0 112.321 173.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -115.82 -24.87 7.99 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 114.472 -1.24 . . . . 0.0 109.589 173.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -87.92 -16.61 33.38 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 119.653 -0.819 . . . . 0.0 110.891 176.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.765 HD13 HD22 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -93.31 -38.49 11.47 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 113.112 -1.858 . . . . 0.0 109.913 178.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.8 mt . . . . . 0 C--N 1.35 0.589 0 O-C-N 124.776 1.297 . . . . 0.0 111.504 -170.08 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.205 -1.282 0 CA-C-O 118.916 -0.564 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.6 mm -56.77 -44.81 82.46 Favored 'Isoleucine or valine' 0 C--N 1.363 1.166 0 C-N-CA 119.308 -0.957 . . . . 0.0 110.696 -171.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -76.44 -25.81 54.79 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 114.129 -1.396 . . . . 0.0 112.684 178.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -79.32 -18.84 51.76 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 124.655 1.222 . . . . 0.0 111.622 -178.023 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.845 ' HA ' HD12 ' A' ' 12' ' ' LEU . 10.9 mt -91.67 -28.92 17.16 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 125.43 1.706 . . . . 0.0 108.908 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.08 -30.89 44.16 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 111.422 -2.626 . . . . 0.0 110.632 175.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.56 -23.08 56.54 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 113.317 -1.765 . . . . 0.0 111.704 -176.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.845 HD12 ' HA ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -55.59 -22.37 21.85 Favored 'General case' 0 CA--C 1.553 1.092 0 O-C-N 125.213 1.571 . . . . 0.0 111.012 169.475 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 125.28 1.95 7.75 Favored Glycine 0 C--N 1.36 1.868 0 O-C-N 124.705 1.253 . . . . 0.0 113.021 175.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.602 ' HB3' HD11 ' A' ' 18' ' ' LEU . 98.7 m-85 -99.83 163.04 19.19 Favored Pre-proline 0 C--O 1.216 -0.697 0 CA-C-N 114.028 -1.086 . . . . 0.0 109.738 -173.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -82.4 143.71 12.51 Favored 'Trans proline' 0 C--N 1.372 1.787 0 C-N-CA 122.748 2.298 . . . . 0.0 112.549 173.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -53.66 -18.06 2.71 Favored 'General case' 0 C--N 1.366 1.319 0 O-C-N 124.144 0.903 . . . . 0.0 113.181 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.65 -42.06 82.82 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 114.248 -1.342 . . . . 0.0 112.322 -177.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.763 HD12 ' N ' ' A' ' 19' ' ' VAL . 0.4 OUTLIER -78.48 -22.56 47.3 Favored 'General case' 0 C--N 1.356 0.884 0 C-N-CA 118.657 -1.217 . . . . 0.0 110.539 176.341 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.763 ' N ' HD12 ' A' ' 18' ' ' LEU . 21.7 t -66.87 -50.98 60.13 Favored 'Isoleucine or valine' 0 C--N 1.354 0.763 0 O-C-N 125.848 1.968 . . . . 0.0 108.994 -169.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.416 HD13 ' CE1' ' A' ' 24' ' ' PHE . 0.4 OUTLIER -50.55 -56.08 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 CA-C-N 111.58 -2.554 . . . . 0.0 110.165 179.579 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -84.01 -1.42 54.7 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 114.16 -1.382 . . . . 0.0 112.815 -174.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.52 -15.2 17.94 Favored 'General case' 0 C--N 1.362 1.111 0 O-C-N 124.526 1.141 . . . . 0.0 112.199 175.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.722 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -94.04 -49.39 5.8 Favored 'General case' 0 C--O 1.215 -0.753 0 O-C-N 124.885 1.365 . . . . 0.0 108.306 175.899 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.416 ' CE1' HD13 ' A' ' 20' ' ' ILE . 2.2 m-85 -67.22 -37.02 82.89 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 111.664 -2.516 . . . . 0.0 111.076 -175.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.12 -29.17 63.81 Favored 'General case' 0 C--N 1.357 0.907 0 O-C-N 124.372 1.045 . . . . 0.0 111.489 175.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.515 ' SG ' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -90.78 11.6 21.88 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 124.86 1.35 . . . . 0.0 112.244 178.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 62.23 75.1 0.42 Allowed 'General case' 0 C--N 1.358 0.94 0 O-C-N 124.242 0.964 . . . . 0.0 110.453 -176.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.414 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 3.4 mmtp 23.78 51.81 0.02 OUTLIER 'General case' 0 CA--C 1.56 1.363 0 CA-C-N 112.836 -1.983 . . . . 0.0 115.094 178.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.441 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -113.29 139.75 48.57 Favored 'General case' 0 C--O 1.201 -1.459 0 CA-C-N 114.099 -1.41 . . . . 0.0 108.489 -169.111 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -79.04 -51.1 10.04 Favored 'General case' 0 C--N 1.359 0.979 0 O-C-N 125.591 1.807 . . . . 0.0 111.267 -178.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.13 -46.71 73.3 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 113.429 -1.714 . . . . 0.0 110.555 -176.01 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.515 HD23 ' SG ' ' A' ' 26' ' ' CYS . 5.3 tp -69.6 -30.98 68.86 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 112.779 -2.01 . . . . 0.0 112.189 -176.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.695 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -71.21 -39.1 71.95 Favored 'General case' 0 C--O 1.21 -0.989 0 O-C-N 125.199 1.562 . . . . 0.0 112.104 176.25 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.43 8.05 1.98 Allowed 'General case' 0 CA--C 1.546 0.816 0 O-C-N 124.887 1.367 . . . . 0.0 111.824 174.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -116.08 -23.14 8.62 Favored 'General case' 0 C--O 1.209 -1.03 0 CA-C-N 114.234 -1.348 . . . . 0.0 110.394 173.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -88.67 -16.36 32.55 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 119.395 -0.922 . . . . 0.0 111.332 175.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.695 HD12 ' O ' ' A' ' 33' ' ' ALA . 0.6 OUTLIER -95.33 -36.63 11.32 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 112.833 -1.985 . . . . 0.0 110.585 -179.63 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.74 HD21 HD22 ' A' ' 12' ' ' LEU . 6.3 mt . . . . . 0 C--N 1.352 0.689 0 O-C-N 125.028 1.455 . . . . 0.0 111.586 -172.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.839 0 CA-C-O 119.314 -0.374 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.2 mm -64.08 -12.67 12.26 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.195 0 C-N-CA 118.429 -1.308 . . . . 0.0 111.773 -174.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -106.03 -28.88 10.27 Favored 'General case' 0 C--N 1.356 0.88 0 O-C-N 124.362 1.039 . . . . 0.0 111.568 176.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -79.95 -22.03 43.11 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 124.754 1.284 . . . . 0.0 111.165 -178.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.813 ' HA ' HD12 ' A' ' 12' ' ' LEU . 25.9 mt -88.05 -32.42 18.77 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-N 113.02 -1.9 . . . . 0.0 108.034 179.106 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.93 -31.83 59.3 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 112.565 -2.107 . . . . 0.0 110.48 177.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.37 -20.89 56.73 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 113.298 -1.774 . . . . 0.0 111.717 -175.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.813 HD12 ' HA ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -57.25 -22.85 44.24 Favored 'General case' 0 CA--C 1.554 1.124 0 O-C-N 124.89 1.369 . . . . 0.0 110.968 169.637 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.7 -3.29 5.72 Favored Glycine 0 CA--C 1.543 1.791 0 O-C-N 124.776 1.297 . . . . 0.0 112.877 176.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.592 ' HB3' HD11 ' A' ' 18' ' ' LEU . 69.2 m-85 -93.45 163.44 24.65 Favored Pre-proline 0 C--O 1.254 1.322 0 O-C-N 124.186 0.58 . . . . 0.0 111.07 -174.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.562 ' O ' HG23 ' A' ' 19' ' ' VAL . 84.5 Cg_endo -83.56 149.04 12.82 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 124.619 3.546 . . . . 0.0 112.394 170.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -55.7 -17.53 6.08 Favored 'General case' 0 CA--C 1.552 1.045 0 O-C-N 124.507 1.129 . . . . 0.0 113.062 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.49 -45.18 63.18 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 114.617 -1.174 . . . . 0.0 112.122 -175.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.592 HD11 ' HB3' ' A' ' 14' ' ' PHE . 2.1 pp -82.25 -19.79 38.89 Favored 'General case' 0 C--N 1.356 0.89 0 O-C-N 124.545 1.153 . . . . 0.0 111.126 178.001 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 15' ' ' PRO . 25.5 t -68.69 -48.4 71.68 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 O-C-N 125.382 1.676 . . . . 0.0 110.015 -177.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -52.03 -53.96 15.86 Favored 'Isoleucine or valine' 0 C--N 1.352 0.717 0 O-C-N 125.682 1.864 . . . . 0.0 111.318 -178.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -78.61 -20.06 51.28 Favored 'General case' 0 C--N 1.347 0.479 0 CA-C-N 112.435 -2.166 . . . . 0.0 110.44 -175.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.69 -24.9 44.76 Favored 'General case' 0 C--N 1.351 0.645 0 O-C-N 124.021 0.826 . . . . 0.0 112.171 177.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.713 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -83.59 -50.31 8.36 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 124.758 1.286 . . . . 0.0 108.333 178.783 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -66.4 -34.05 77.09 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 112.003 -2.362 . . . . 0.0 112.159 -175.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.72 -28.88 62.93 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 124.272 0.982 . . . . 0.0 111.128 174.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -91.41 5.11 50.65 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 124.785 1.303 . . . . 0.0 112.79 177.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 62.91 72.8 0.48 Allowed 'General case' 0 C--N 1.358 0.953 0 O-C-N 124.239 0.962 . . . . 0.0 110.102 -174.12 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.492 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.2 OUTLIER 31.58 39.08 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.268 0 CA-C-N 112.8 -2.0 . . . . 0.0 114.604 176.245 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.418 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 1.6 m-20 -98.84 143.95 28.59 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-N 114.643 -1.162 . . . . 0.0 108.27 -169.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -76.55 -63.65 1.29 Allowed 'General case' 0 C--O 1.22 -0.466 0 O-C-N 124.609 1.193 . . . . 0.0 111.166 -178.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -62.95 -45.05 94.27 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-N 113.636 -1.62 . . . . 0.0 111.322 -175.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.8 tp -64.99 -33.05 75.13 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-N 113.372 -1.74 . . . . 0.0 111.695 -178.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.679 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -71.16 -36.22 71.94 Favored 'General case' 0 C--N 1.354 0.794 0 O-C-N 125.128 1.517 . . . . 0.0 111.845 176.47 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.25 13.32 0.94 Allowed 'General case' 0 CA--C 1.548 0.872 0 O-C-N 124.644 1.215 . . . . 0.0 111.618 173.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.86 -30.09 5.49 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-N 114.043 -1.435 . . . . 0.0 109.447 172.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -81.93 -22.71 36.6 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 121.921 0.867 . . . . 0.0 110.95 176.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.712 ' CD1' HD22 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -88.02 -39.47 14.63 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 113.445 -1.707 . . . . 0.0 110.516 -177.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.494 HD21 HD22 ' A' ' 12' ' ' LEU . 4.6 mt . . . . . 0 C--N 1.35 0.628 0 O-C-N 125.436 1.71 . . . . 0.0 111.313 -170.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 119.313 -0.375 . . . . 0.0 110.712 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.436 ' HA ' HG11 ' A' ' 19' ' ' VAL . 17.6 mt -63.95 -12.74 12.2 Favored 'Isoleucine or valine' 0 C--N 1.359 0.993 0 C-N-CA 119.13 -1.028 . . . . 0.0 111.959 -175.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -102.61 -26.77 13.09 Favored 'General case' 0 C--N 1.356 0.888 0 O-C-N 124.057 0.848 . . . . 0.0 111.478 175.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.14 -24.88 40.13 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 114.674 -1.148 . . . . 0.0 111.413 -177.037 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.86 ' HA ' HD12 ' A' ' 12' ' ' LEU . 24.5 mt -86.9 -29.12 22.37 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 112.362 -2.199 . . . . 0.0 109.778 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.56 -31.17 36.94 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 111.657 -2.519 . . . . 0.0 110.476 177.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.77 -20.69 59.7 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 113.425 -1.716 . . . . 0.0 111.613 -177.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.86 HD12 ' HA ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -58.17 -20.99 45.25 Favored 'General case' 0 CA--C 1.556 1.205 0 O-C-N 125.143 1.527 . . . . 0.0 110.923 169.246 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 124.9 3.92 7.44 Favored Glycine 0 C--N 1.358 1.794 0 O-C-N 124.598 1.186 . . . . 0.0 113.121 174.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.633 ' HB3' HD11 ' A' ' 18' ' ' LEU . 99.4 m-85 -101.05 162.33 20.92 Favored Pre-proline 0 C--O 1.256 1.412 0 CA-C-N 114.558 -0.821 . . . . 0.0 110.542 -172.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -80.75 140.91 13.26 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 124.666 3.577 . . . . 0.0 112.392 172.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -50.45 -21.34 1.43 Allowed 'General case' 0 CA--C 1.552 1.041 0 O-C-N 124.51 1.131 . . . . 0.0 113.104 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.77 -43.53 72.0 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 114.714 -1.13 . . . . 0.0 111.87 -174.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.691 HD12 ' N ' ' A' ' 19' ' ' VAL . 1.2 pp -79.4 -22.33 44.46 Favored 'General case' 0 C--N 1.36 1.06 0 O-C-N 124.694 1.246 . . . . 0.0 111.085 175.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.691 ' N ' HD12 ' A' ' 18' ' ' LEU . 16.1 t -64.2 -52.54 54.64 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.604 0 O-C-N 125.362 1.664 . . . . 0.0 109.758 -174.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -49.77 -56.84 2.65 Favored 'Isoleucine or valine' 0 C--N 1.35 0.613 0 CA-C-N 112.093 -2.321 . . . . 0.0 111.336 179.633 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -76.78 -20.29 56.62 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 112.817 -1.992 . . . . 0.0 111.132 -173.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.4 -19.55 38.89 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 124.617 1.198 . . . . 0.0 111.901 178.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.73 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -84.83 -57.15 3.23 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 124.521 1.138 . . . . 0.0 108.46 178.806 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -61.13 -33.33 73.21 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 111.422 -2.627 . . . . 0.0 111.896 -178.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.15 -36.43 77.41 Favored 'General case' 0 C--N 1.359 1.016 0 O-C-N 123.983 0.802 . . . . 0.0 110.939 174.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.34 3.88 37.74 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 114.03 -1.441 . . . . 0.0 112.266 177.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 59.17 62.32 1.86 Allowed 'General case' 0 C--N 1.361 1.106 0 O-C-N 124.247 0.967 . . . . 0.0 111.49 -175.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.451 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 4.5 mptt 27.65 46.31 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.076 0 CA-C-N 112.342 -2.208 . . . . 0.0 114.602 176.173 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -85.94 -17.3 35.83 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 113.183 -1.826 . . . . 0.0 112.13 -165.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . 0.281 1.0 OUTLIER 85.59 -67.77 0.03 OUTLIER 'General case' 0 C--N 1.35 0.62 0 O-C-N 125.641 1.838 . . . . 0.0 111.289 173.458 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -65.18 -45.84 83.22 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 112.903 -1.953 . . . . 0.0 111.105 175.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.9 tp -67.8 -29.43 68.6 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 125.044 1.465 . . . . 0.0 111.867 -178.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.706 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -72.15 -37.75 69.34 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 112.913 -1.949 . . . . 0.0 112.038 177.059 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.71 12.91 0.91 Allowed 'General case' 0 CA--C 1.547 0.847 0 O-C-N 124.555 1.159 . . . . 0.0 111.755 173.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -119.52 -25.87 5.9 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 113.911 -1.495 . . . . 0.0 109.288 172.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -88.98 -15.49 34.07 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-O 122.144 0.973 . . . . 0.0 111.301 178.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.706 ' CD1' HD22 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -92.11 -39.81 11.39 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 113.118 -1.856 . . . . 0.0 110.105 179.328 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.839 HD21 HD22 ' A' ' 12' ' ' LEU . 6.7 mt . . . . . 0 C--N 1.352 0.715 0 CA-C-N 113.673 -1.603 . . . . 0.0 112.112 -172.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.453 ' HB1' HD11 ' A' ' 9' ' ' LEU . . . . . . . . 0 N--CA 1.439 -0.998 0 N-CA-C 110.525 -0.176 . . . . 0.0 110.525 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.449 ' HA ' HG11 ' A' ' 19' ' ' VAL . 3.8 mm -62.78 -15.4 15.25 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.026 0 C-N-CA 118.98 -1.088 . . . . 0.0 111.949 -174.516 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -106.13 -27.21 11.23 Favored 'General case' 0 C--N 1.36 1.035 0 O-C-N 124.878 1.361 . . . . 0.0 111.812 176.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -21.83 42.75 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 124.661 1.225 . . . . 0.0 111.508 -178.225 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.831 ' HA ' HD12 ' A' ' 12' ' ' LEU . 19.7 mt -89.38 -30.92 18.02 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-N 113.221 -1.809 . . . . 0.0 109.44 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.81 -31.76 51.95 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 111.234 -2.712 . . . . 0.0 110.365 176.022 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.11 -22.96 57.89 Favored 'General case' 0 C--N 1.358 0.971 0 CA-C-N 113.501 -1.681 . . . . 0.0 111.817 -176.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.831 HD12 ' HA ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -56.38 -21.49 25.12 Favored 'General case' 0 CA--C 1.554 1.13 0 O-C-N 125.225 1.578 . . . . 0.0 111.136 169.331 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 122.43 3.71 9.35 Favored Glycine 0 C--N 1.357 1.724 0 O-C-N 124.752 1.283 . . . . 0.0 112.828 175.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.601 ' HB3' HD11 ' A' ' 18' ' ' LEU . 99.4 m-85 -97.78 162.69 21.48 Favored Pre-proline 0 C--O 1.261 1.686 0 CA-C-N 114.215 -0.993 . . . . 0.0 110.809 -174.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -81.22 140.99 12.61 Favored 'Trans proline' 0 CA--C 1.543 0.948 0 C-N-CA 125.141 3.894 . . . . 0.0 112.287 173.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -51.7 -18.62 1.26 Allowed 'General case' 0 CA--C 1.556 1.185 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -41.99 80.47 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 114.571 -1.195 . . . . 0.0 112.135 -176.081 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.797 HD12 ' N ' ' A' ' 19' ' ' VAL . 0.3 OUTLIER -76.23 -25.8 55.43 Favored 'General case' 0 C--N 1.358 0.972 0 O-C-N 124.598 1.186 . . . . 0.0 110.727 175.819 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.797 ' N ' HD12 ' A' ' 18' ' ' LEU . 5.9 t -65.19 -49.91 76.65 Favored 'Isoleucine or valine' 0 C--N 1.35 0.622 0 O-C-N 125.799 1.937 . . . . 0.0 109.13 -168.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -51.3 -54.92 9.55 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 CA-C-N 111.787 -2.461 . . . . 0.0 110.459 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -86.25 2.27 47.75 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 125.29 1.619 . . . . 0.0 112.549 -173.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -107.47 -13.91 14.97 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 124.416 1.072 . . . . 0.0 112.055 176.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.784 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -96.43 -48.33 5.61 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 124.955 1.409 . . . . 0.0 108.212 173.634 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -66.63 -38.75 87.58 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 126.308 2.255 . . . . 0.0 110.961 -176.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.21 -25.24 61.58 Favored 'General case' 0 C--N 1.359 0.979 0 O-C-N 124.58 1.175 . . . . 0.0 111.301 176.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.839 ' SG ' HD22 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -89.92 1.97 55.61 Favored 'General case' 0 C--N 1.352 0.717 0 O-C-N 125.015 1.447 . . . . 0.0 112.754 176.719 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 67.37 70.49 0.36 Allowed 'General case' 0 C--N 1.36 1.022 0 O-C-N 124.698 1.249 . . . . 0.0 110.907 -175.273 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 36.85 32.68 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.162 0 O-C-N 125.228 1.58 . . . . 0.0 113.526 177.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.516 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.7 OUTLIER -92.52 151.07 20.38 Favored 'General case' 0 C--O 1.215 -0.747 0 CA-C-N 114.612 -1.176 . . . . 0.0 108.118 -170.169 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.01 -51.25 4.52 Favored 'General case' 0 C--O 1.22 -0.466 0 O-C-N 125.417 1.698 . . . . 0.0 110.667 -174.011 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -68.53 -48.03 65.38 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 112.563 -2.108 . . . . 0.0 110.585 -178.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.839 HD22 ' SG ' ' A' ' 26' ' ' CYS . 0.5 OUTLIER -66.11 -35.18 79.82 Favored 'General case' 0 C--N 1.355 0.846 0 O-C-N 125.375 1.672 . . . . 0.0 110.507 -178.681 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.643 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -66.55 -40.15 88.9 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-N 114.093 -1.412 . . . . 0.0 112.666 178.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.61 9.29 1.46 Allowed 'General case' 0 CA--C 1.544 0.742 0 O-C-N 125.121 1.513 . . . . 0.0 111.781 175.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -113.79 -31.31 6.48 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 113.962 -1.472 . . . . 0.0 109.591 172.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -84.19 -9.0 58.9 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-O 121.985 0.898 . . . . 0.0 111.449 176.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.763 HD13 HD22 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -102.47 -34.88 8.97 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 113.542 -1.663 . . . . 0.0 110.438 179.428 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.758 HD21 HD22 ' A' ' 12' ' ' LEU . 8.4 mt . . . . . 0 C--N 1.354 0.787 0 O-C-N 125.309 1.631 . . . . 0.0 112.489 -169.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.798 0 CA-C-O 119.162 -0.447 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.412 ' HA ' ' CG1' ' A' ' 19' ' ' VAL . 11.6 mt -64.37 -8.16 4.51 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.124 0 C-N-CA 118.506 -1.278 . . . . 0.0 111.7 -177.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.12 -24.78 11.83 Favored 'General case' 0 C--N 1.357 0.911 0 O-C-N 123.959 0.787 . . . . 0.0 111.664 173.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.69 -19.8 37.38 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 124.591 1.182 . . . . 0.0 111.892 -178.499 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.916 ' HA ' HD12 ' A' ' 12' ' ' LEU . 15.6 mt -93.29 -28.82 15.99 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 113.021 -1.899 . . . . 0.0 108.627 -179.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.64 -32.32 41.64 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 111.959 -2.382 . . . . 0.0 110.063 176.132 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.91 -18.32 56.25 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 113.251 -1.795 . . . . 0.0 111.941 -177.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.916 HD12 ' HA ' ' A' ' 9' ' ' LEU . 1.9 mt -56.66 -21.23 25.96 Favored 'General case' 0 CA--C 1.551 0.988 0 O-C-N 124.854 1.347 . . . . 0.0 110.922 167.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 127.14 -0.59 7.1 Favored Glycine 0 C--N 1.358 1.791 0 O-C-N 125.153 1.533 . . . . 0.0 112.448 175.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.468 ' HB3' HD11 ' A' ' 18' ' ' LEU . 12.4 m-30 -102.14 162.06 21.48 Favored Pre-proline 0 C--O 1.251 1.132 0 CA-C-N 113.774 -1.213 . . . . 0.0 110.314 -165.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.563 ' O ' HG23 ' A' ' 19' ' ' VAL . 72.5 Cg_endo -79.54 149.78 21.48 Favored 'Trans proline' 0 CA--C 1.538 0.68 0 C-N-CA 124.202 3.268 . . . . 0.0 113.426 176.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.11 -19.53 33.06 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 124.606 1.191 . . . . 0.0 113.57 -178.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 t -76.81 -39.3 51.87 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 113.956 -1.474 . . . . 0.0 111.606 -173.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.579 HD13 HD23 ' A' ' 37' ' ' LEU . 1.1 pp -80.99 -22.01 39.83 Favored 'General case' 0 C--N 1.36 1.061 0 O-C-N 124.653 1.221 . . . . 0.0 111.216 176.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 15' ' ' PRO . 18.7 t -66.32 -52.19 50.09 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 O-C-N 125.659 1.849 . . . . 0.0 110.428 -176.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.51 HD13 ' CE1' ' A' ' 24' ' ' PHE . 0.4 OUTLIER -53.71 -56.42 8.98 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 CA-C-N 112.323 -2.217 . . . . 0.0 110.676 -178.329 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -73.73 -17.08 61.16 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 113.922 -1.49 . . . . 0.0 111.956 -177.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.46 -29.82 37.48 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 124.274 0.984 . . . . 0.0 112.193 177.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.701 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -77.88 -48.0 17.42 Favored 'General case' 0 C--N 1.35 0.589 0 C-N-CA 119.029 -1.068 . . . . 0.0 108.933 179.626 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.51 ' CE1' HD13 ' A' ' 20' ' ' ILE . 2.8 m-85 -64.58 -38.22 90.26 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 111.521 -2.581 . . . . 0.0 111.031 -176.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.32 -29.65 65.27 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.373 176.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.679 ' SG ' HD13 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -93.1 16.56 12.61 Favored 'General case' 0 C--N 1.353 0.718 0 O-C-N 124.887 1.367 . . . . 0.0 112.226 177.299 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 58.7 73.38 0.48 Allowed 'General case' 0 C--N 1.357 0.897 0 CA-C-O 122.103 0.954 . . . . 0.0 110.548 -177.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 30.68 42.43 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.1 0 CA-C-N 112.144 -2.298 . . . . 0.0 115.324 174.293 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -111.16 146.95 35.96 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-N 114.725 -1.125 . . . . 0.0 108.697 -167.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.61 -49.58 7.43 Favored 'General case' 0 C--O 1.22 -0.467 0 O-C-N 125.217 1.573 . . . . 0.0 110.49 -172.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.47 -45.79 68.18 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 112.409 -2.178 . . . . 0.0 110.998 179.279 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.679 HD13 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -67.84 -36.55 80.54 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 125.391 1.682 . . . . 0.0 109.923 -176.539 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.719 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -66.01 -39.98 90.71 Favored 'General case' 0 C--N 1.357 0.928 0 O-C-N 124.483 1.114 . . . . 0.0 112.245 178.526 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.81 10.27 0.92 Allowed 'General case' 0 CA--C 1.552 1.049 0 O-C-N 124.669 1.23 . . . . 0.0 112.398 174.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -116.58 -29.42 6.13 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 113.982 -1.463 . . . . 0.0 109.95 172.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.512 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 29.0 t80 -86.79 -12.31 48.43 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.734 178.038 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.719 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.4 mt -95.11 -47.95 6.16 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 113.247 -1.797 . . . . 0.0 108.966 179.423 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.534 HD21 HD22 ' A' ' 12' ' ' LEU . 7.4 mt . . . . . 0 C--N 1.35 0.628 0 CA-C-N 113.439 -1.71 . . . . 0.0 112.551 -172.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.55 0 CA-C-O 118.969 -0.539 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.433 ' HA ' HG11 ' A' ' 19' ' ' VAL . 10.2 mt -70.81 -9.77 13.12 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 C-N-CA 118.517 -1.273 . . . . 0.0 111.737 -173.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -98.7 -27.94 13.75 Favored 'General case' 0 C--N 1.357 0.909 0 O-C-N 123.978 0.799 . . . . 0.0 111.398 174.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.56 -41.0 22.24 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 124.841 1.338 . . . . 0.0 110.928 -174.093 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.755 HD11 ' CD1' ' A' ' 23' ' ' TYR . 34.0 mt -60.13 -33.12 71.7 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 111.549 -2.569 . . . . 0.0 110.736 171.002 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.3 -31.67 29.87 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 112.007 -2.36 . . . . 0.0 110.531 177.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.28 -17.7 59.33 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 114.02 -1.446 . . . . 0.0 111.38 -176.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.724 HD22 HD21 ' A' ' 38' ' ' LEU . 0.6 OUTLIER -60.29 -19.74 56.29 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 113.692 -1.594 . . . . 0.0 111.15 169.762 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 125.42 6.24 6.27 Favored Glycine 0 CA--C 1.542 1.751 0 O-C-N 124.851 1.344 . . . . 0.0 112.543 174.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.959 ' HB3' HD11 ' A' ' 18' ' ' LEU . 54.4 m-85 -104.39 163.43 17.28 Favored Pre-proline 0 C--O 1.249 1.048 0 CA-C-N 114.649 -0.775 . . . . 0.0 108.925 -170.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.615 ' O ' HG23 ' A' ' 19' ' ' VAL . 88.9 Cg_endo -87.61 154.96 7.65 Favored 'Trans proline' 0 CA--C 1.545 1.052 1 C-N-CA 125.497 4.132 . . . . 0.0 112.534 171.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -57.96 -11.25 2.26 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.45 -45.5 22.01 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 124.076 0.86 . . . . 0.0 111.941 -173.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.959 HD11 ' HB3' ' A' ' 14' ' ' PHE . 3.7 pp -81.66 -23.19 37.05 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-N 114.266 -1.334 . . . . 0.0 110.398 177.339 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 15' ' ' PRO . 40.8 t -60.99 -53.42 49.38 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 O-C-N 125.282 1.614 . . . . 0.0 110.554 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.472 HD13 ' CE1' ' A' ' 24' ' ' PHE . 0.4 OUTLIER -52.44 -55.75 9.6 Favored 'Isoleucine or valine' 0 C--N 1.352 0.712 0 O-C-N 125.862 1.976 . . . . 0.0 110.527 -178.419 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.06 -14.88 59.76 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 113.022 -1.899 . . . . 0.0 111.441 -173.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.97 -25.28 27.87 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 124.353 1.033 . . . . 0.0 112.017 178.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.755 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -82.52 -50.38 8.89 Favored 'General case' 0 C--N 1.349 0.578 0 O-C-N 124.41 1.069 . . . . 0.0 108.344 178.224 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.472 ' CE1' HD13 ' A' ' 20' ' ' ILE . 4.6 m-85 -63.05 -38.67 92.1 Favored 'General case' 0 CA--C 1.55 0.979 0 CA-C-N 111.923 -2.399 . . . . 0.0 111.371 -177.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.69 -28.74 64.99 Favored 'General case' 0 C--N 1.358 0.97 0 O-C-N 124.104 0.878 . . . . 0.0 111.431 176.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.554 ' SG ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -93.5 9.74 35.35 Favored 'General case' 0 C--N 1.353 0.723 0 O-C-N 124.775 1.297 . . . . 0.0 112.29 178.723 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 63.87 72.28 0.47 Allowed 'General case' 0 C--N 1.361 1.107 0 O-C-N 124.315 1.009 . . . . 0.0 110.183 -176.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 32.46 38.38 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 112.691 -2.05 . . . . 0.0 114.799 176.373 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.446 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.7 OUTLIER -100.77 147.23 26.28 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-N 113.96 -1.473 . . . . 0.0 108.552 -168.906 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.56 -52.02 5.38 Favored 'General case' 0 C--O 1.219 -0.505 0 O-C-N 125.447 1.717 . . . . 0.0 109.738 -173.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -68.12 -45.81 72.62 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 112.963 -1.926 . . . . 0.0 110.961 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.554 HD12 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -68.57 -32.99 73.3 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 125.203 1.564 . . . . 0.0 110.568 -176.521 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.669 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -69.33 -37.7 77.84 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 114.418 -1.265 . . . . 0.0 111.85 177.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.74 10.85 1.22 Allowed 'General case' 0 CA--C 1.549 0.929 0 O-C-N 124.803 1.315 . . . . 0.0 112.058 174.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -118.9 -27.98 5.66 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 114.258 -1.337 . . . . 0.0 109.468 173.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -84.0 -17.43 40.51 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 119.504 -0.878 . . . . 0.0 111.019 175.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.674 ' CD1' HD22 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -92.5 -40.91 10.56 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 113.56 -1.655 . . . . 0.0 110.243 179.288 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.724 HD21 HD22 ' A' ' 12' ' ' LEU . 7.5 mt . . . . . 0 C--N 1.352 0.694 0 O-C-N 125.097 1.498 . . . . 0.0 112.31 -170.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.211 -0.922 0 CA-C-O 119.147 -0.454 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 16.1 mt -58.16 -43.27 85.23 Favored 'Isoleucine or valine' 0 C--N 1.354 0.797 0 C-N-CA 118.927 -1.109 . . . . 0.0 111.293 -176.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -76.01 -25.97 56.22 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 119.129 -1.028 . . . . 0.0 111.676 178.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.7 -21.89 40.84 Favored 'General case' 0 C--N 1.346 0.436 0 CA-C-N 114.388 -1.278 . . . . 0.0 111.442 -176.368 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.768 ' HA ' HD12 ' A' ' 12' ' ' LEU . 15.4 mt -88.55 -31.53 18.61 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 113.214 -1.812 . . . . 0.0 107.753 178.169 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -34.67 65.66 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 112.836 -1.984 . . . . 0.0 109.814 176.053 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.04 -22.41 61.39 Favored 'General case' 0 C--N 1.348 0.534 0 CA-C-N 113.931 -1.486 . . . . 0.0 112.029 -174.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.768 HD12 ' HA ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -56.21 -24.44 42.1 Favored 'General case' 0 CA--C 1.554 1.116 0 O-C-N 124.832 1.332 . . . . 0.0 111.361 169.386 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 131.54 -0.91 5.16 Favored Glycine 0 CA--C 1.542 1.735 0 O-C-N 124.744 1.277 . . . . 0.0 113.048 175.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.581 ' HB3' HD11 ' A' ' 18' ' ' LEU . 61.8 m-85 -95.14 164.01 20.36 Favored Pre-proline 0 C--N 1.348 0.514 0 O-C-N 124.127 0.545 . . . . 0.0 110.422 -174.271 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.596 ' O ' HG23 ' A' ' 19' ' ' VAL . 96.5 Cg_endo -82.47 149.51 14.77 Favored 'Trans proline' 0 C--N 1.358 1.071 0 C-N-CA 123.525 2.817 . . . . 0.0 112.472 170.261 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -57.49 -16.79 10.67 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 124.603 1.19 . . . . 0.0 113.051 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.42 -41.01 49.13 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.832 -175.156 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.581 HD11 ' HB3' ' A' ' 14' ' ' PHE . 1.5 pp -82.96 -20.34 35.43 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 124.28 0.988 . . . . 0.0 111.044 176.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 15' ' ' PRO . 24.6 t -68.51 -51.51 45.93 Favored 'Isoleucine or valine' 0 C--N 1.346 0.454 0 CA-C-N 113.708 -1.587 . . . . 0.0 109.283 -177.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.449 HD13 ' CE1' ' A' ' 24' ' ' PHE . 0.4 OUTLIER -53.74 -54.29 20.52 Favored 'Isoleucine or valine' 0 C--N 1.348 0.537 0 CA-C-N 113.094 -1.867 . . . . 0.0 110.973 -177.895 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -72.53 -18.04 61.68 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 113.085 -1.871 . . . . 0.0 110.848 -176.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.93 -51.92 14.55 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 117.967 -1.493 . . . . 0.0 111.194 177.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.746 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -61.26 -49.49 76.85 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.803 -178.317 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.449 ' CE1' HD13 ' A' ' 20' ' ' ILE . 2.9 m-85 -62.52 -39.66 94.28 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 112.615 -2.084 . . . . 0.0 110.937 -177.117 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.79 -30.25 66.67 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.722 175.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.509 ' SG ' HD12 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -90.35 9.71 27.82 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 124.537 1.148 . . . . 0.0 112.105 179.032 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 61.41 77.91 0.31 Allowed 'General case' 0 C--N 1.357 0.902 0 O-C-N 124.384 1.053 . . . . 0.0 109.945 -174.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 27.83 47.11 0.02 OUTLIER 'General case' 0 CA--C 1.56 1.345 0 CA-C-N 112.617 -2.083 . . . . 0.0 114.788 176.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.425 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.7 OUTLIER -111.95 144.26 41.59 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-N 114.542 -1.208 . . . . 0.0 108.834 -167.542 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.93 -51.47 6.69 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 125.574 1.796 . . . . 0.0 110.492 -175.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -68.77 -45.56 71.06 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 125.543 1.777 . . . . 0.0 110.717 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.509 HD12 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -68.98 -32.09 71.41 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 124.897 1.373 . . . . 0.0 110.59 -177.037 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.709 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -68.93 -36.95 78.57 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 114.639 -1.164 . . . . 0.0 111.714 176.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.44 12.54 0.96 Allowed 'General case' 0 CA--C 1.549 0.925 0 O-C-N 124.542 1.151 . . . . 0.0 112.2 172.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -118.7 -26.7 6.04 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 114.452 -1.249 . . . . 0.0 109.582 173.32 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -88.75 -15.44 34.71 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.839 175.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.725 HD13 HD22 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -93.96 -35.77 12.49 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 114.219 -1.355 . . . . 0.0 109.7 178.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.575 HD21 HD22 ' A' ' 12' ' ' LEU . 4.3 mt . . . . . 0 C--N 1.349 0.549 0 O-C-N 124.86 1.35 . . . . 0.0 111.181 -170.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.404 ' CB ' ' CZ ' ' A' ' 23' ' ' TYR . . . . . . . . 0 N--CA 1.446 -0.658 0 CA-C-O 119.315 -0.374 . . . . 0.0 110.714 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 mm -65.9 -11.54 12.68 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.187 0 C-N-CA 119.021 -1.072 . . . . 0.0 111.477 -173.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -105.51 -27.59 11.32 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 114.623 -1.171 . . . . 0.0 111.255 176.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.95 -21.14 40.64 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 124.617 1.198 . . . . 0.0 111.526 -179.099 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.895 ' HA ' HD12 ' A' ' 12' ' ' LEU . 16.8 mt -89.41 -29.15 19.27 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 113.326 -1.761 . . . . 0.0 108.726 179.194 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.47 -33.84 41.94 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 111.968 -2.378 . . . . 0.0 110.254 177.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.34 -21.17 56.47 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 113.028 -1.897 . . . . 0.0 111.665 -176.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.895 HD12 ' HA ' ' A' ' 9' ' ' LEU . 2.5 mt -57.02 -21.89 34.42 Favored 'General case' 0 CA--C 1.555 1.158 0 O-C-N 125.075 1.484 . . . . 0.0 110.908 169.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.49 -3.91 6.64 Favored Glycine 0 CA--C 1.544 1.857 0 O-C-N 124.659 1.224 . . . . 0.0 113.124 175.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.591 ' HB3' HD11 ' A' ' 18' ' ' LEU . 94.5 m-85 -95.27 160.99 29.51 Favored Pre-proline 0 C--O 1.215 -0.752 0 CA-C-N 114.383 -0.908 . . . . 0.0 109.536 -172.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.639 ' O ' HG23 ' A' ' 19' ' ' VAL . 72.5 Cg_endo -78.24 151.38 26.52 Favored 'Trans proline' 0 C--N 1.369 1.636 0 C-N-CA 123.151 2.567 . . . . 0.0 113.19 173.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.09 -21.54 46.51 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 124.509 1.131 . . . . 0.0 113.429 -178.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -76.2 -38.64 56.25 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 113.312 -1.767 . . . . 0.0 111.575 -172.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.591 HD11 ' HB3' ' A' ' 14' ' ' PHE . 1.2 pp -82.28 -21.23 36.27 Favored 'General case' 0 C--N 1.357 0.921 0 O-C-N 124.68 1.237 . . . . 0.0 110.986 176.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 15' ' ' PRO . 37.9 t -65.73 -52.07 54.54 Favored 'Isoleucine or valine' 0 C--N 1.348 0.535 0 O-C-N 125.622 1.827 . . . . 0.0 110.111 -177.068 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -51.67 -53.36 17.07 Favored 'Isoleucine or valine' 0 C--N 1.348 0.538 0 O-C-N 125.967 2.042 . . . . 0.0 110.656 -177.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.59 -14.65 58.02 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-N 112.619 -2.082 . . . . 0.0 111.458 -173.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.45 -24.12 29.64 Favored 'General case' 0 C--N 1.351 0.643 0 O-C-N 124.45 1.094 . . . . 0.0 111.703 176.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.733 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -83.11 -51.51 7.46 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 124.629 1.206 . . . . 0.0 108.487 178.789 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -65.58 -34.44 78.24 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 112.313 -2.221 . . . . 0.0 111.956 -178.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.72 -28.94 65.1 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 124.177 0.923 . . . . 0.0 111.199 173.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.658 ' SG ' HD23 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -88.95 -1.47 58.12 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 124.714 1.259 . . . . 0.0 112.192 176.042 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 61.57 66.49 0.85 Allowed 'General case' 0 C--N 1.357 0.899 0 O-C-N 124.373 1.045 . . . . 0.0 111.308 -174.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 31.12 42.46 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 113.3 -1.773 . . . . 0.0 114.015 175.092 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.554 HD22 HD22 ' A' ' 32' ' ' LEU . 1.2 m-20 -86.89 -17.96 32.01 Favored 'General case' 0 C--N 1.348 0.515 0 CA-C-N 113.326 -1.761 . . . . 0.0 111.159 -164.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . 0.298 0.5 OUTLIER 84.64 -73.24 0.03 OUTLIER 'General case' 0 C--N 1.346 0.423 0 O-C-N 125.52 1.763 . . . . 0.0 111.075 172.516 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -62.83 -45.02 94.55 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 125.981 2.051 . . . . 0.0 111.241 176.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.658 HD23 ' SG ' ' A' ' 26' ' ' CYS . 2.2 tp -66.44 -30.33 70.66 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 125.145 1.528 . . . . 0.0 111.328 -178.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.713 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -71.57 -37.78 71.02 Favored 'General case' 0 C--N 1.349 0.58 0 CA-C-N 113.272 -1.785 . . . . 0.0 111.554 179.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.3 11.74 1.44 Allowed 'General case' 0 CA--C 1.548 0.898 0 O-C-N 124.811 1.32 . . . . 0.0 111.713 173.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -118.58 -24.94 6.58 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 114.299 -1.319 . . . . 0.0 109.709 173.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -87.7 -20.67 25.94 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 114.834 -1.076 . . . . 0.0 110.02 174.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.823 HD13 HD22 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -88.66 -39.49 13.99 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 114.468 -1.242 . . . . 0.0 110.263 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.423 HD21 HD22 ' A' ' 12' ' ' LEU . 5.4 mt . . . . . 0 C--N 1.348 0.512 0 O-C-N 125.259 1.6 . . . . 0.0 111.651 -169.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.501 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -126.16 9.88 7.42 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 124.641 1.213 . . . . 0.0 111.529 -178.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -17.76 63.99 Favored 'General case' 0 C--N 1.353 0.729 0 O-C-N 124.824 1.327 . . . . 0.0 112.716 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.99 -21.56 66.41 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-N 113.871 -1.513 . . . . 0.0 111.379 179.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.437 ' HB1' HD11 ' A' ' 9' ' ' LEU . . . -92.66 -29.28 16.18 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-N 112.985 -1.916 . . . . 0.0 110.557 176.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.5 mm -63.67 -12.16 10.52 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.113 0 C-N-CA 119.387 -0.925 . . . . 0.0 111.722 -173.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -106.91 -28.36 10.13 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 114.531 -1.213 . . . . 0.0 111.266 177.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.12 -21.48 43.17 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 124.464 1.102 . . . . 0.0 111.67 -179.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.818 ' HA ' HD12 ' A' ' 12' ' ' LEU . 22.9 mt -89.16 -31.2 18.08 Favored 'General case' 0 C--N 1.346 0.452 0 CA-C-N 113.273 -1.785 . . . . 0.0 108.873 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.59 -31.88 47.35 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 111.436 -2.62 . . . . 0.0 110.169 176.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.94 -21.29 57.19 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 114.214 -1.357 . . . . 0.0 111.819 -176.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.818 HD12 ' HA ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -56.08 -22.85 30.17 Favored 'General case' 0 CA--C 1.555 1.146 0 O-C-N 125.056 1.473 . . . . 0.0 111.053 169.298 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.74 6.46 8.58 Favored Glycine 0 CA--C 1.539 1.575 0 O-C-N 124.699 1.249 . . . . 0.0 112.911 175.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.631 ' HB3' HD11 ' A' ' 18' ' ' LEU . 86.9 m-85 -98.03 162.8 20.93 Favored Pre-proline 0 C--N 1.347 0.474 0 O-C-N 124.423 0.719 . . . . 0.0 110.648 -175.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -78.57 141.36 17.53 Favored 'Trans proline' 0 C--N 1.359 1.117 0 C-N-CA 123.386 2.724 . . . . 0.0 113.076 173.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.43 -20.13 2.64 Favored 'General case' 0 CA--C 1.551 0.983 0 O-C-N 124.485 1.116 . . . . 0.0 113.809 -178.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 t -72.09 -38.63 69.33 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 113.998 -1.456 . . . . 0.0 111.663 -175.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.778 HD12 ' N ' ' A' ' 19' ' ' VAL . 0.3 OUTLIER -76.83 -26.06 53.93 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 118.757 -1.177 . . . . 0.0 111.176 173.896 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.778 ' N ' HD12 ' A' ' 18' ' ' LEU . 37.2 t -65.84 -51.57 59.95 Favored 'Isoleucine or valine' 0 C--N 1.353 0.742 0 O-C-N 125.473 1.733 . . . . 0.0 109.197 -168.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -50.97 -53.12 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 111.556 -2.566 . . . . 0.0 111.4 178.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -86.83 -3.06 59.02 Favored 'General case' 0 C--O 1.218 -0.569 0 O-C-N 125.656 1.848 . . . . 0.0 112.095 -172.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.21 -18.25 19.37 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 124.558 1.161 . . . . 0.0 110.819 173.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.701 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.2 t80 -88.96 -59.07 2.33 Favored 'General case' 0 C--N 1.347 0.475 0 O-C-N 124.329 1.018 . . . . 0.0 108.371 177.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -57.88 -34.16 69.48 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 112.702 -2.045 . . . . 0.0 112.506 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.54 -34.02 65.0 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 119.546 -0.861 . . . . 0.0 111.171 177.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.612 ' SG ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -88.58 15.07 8.59 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.648 1.218 . . . . 0.0 112.016 179.237 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 61.63 69.04 0.67 Allowed 'General case' 0 C--N 1.358 0.974 0 CA-C-O 121.894 0.854 . . . . 0.0 110.134 -174.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.465 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 26.45 45.66 0.01 OUTLIER 'General case' 0 CA--C 1.565 1.536 0 CA-C-N 113.268 -1.787 . . . . 0.0 114.431 176.357 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -107.44 140.48 40.33 Favored 'General case' 0 C--O 1.212 -0.914 0 CA-C-N 114.075 -1.421 . . . . 0.0 108.527 -167.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.8 -58.11 3.96 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 124.834 1.334 . . . . 0.0 111.058 -177.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.17 -46.57 80.3 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 113.886 -1.506 . . . . 0.0 111.42 -174.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.612 HD23 ' SG ' ' A' ' 26' ' ' CYS . 3.8 tp -67.13 -31.32 71.69 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 113.474 -1.694 . . . . 0.0 111.707 -177.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.682 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -72.03 -37.44 69.75 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 124.87 1.356 . . . . 0.0 111.901 176.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.54 9.44 1.76 Allowed 'General case' 0 CA--C 1.548 0.897 0 O-C-N 124.521 1.138 . . . . 0.0 112.022 173.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -113.93 -30.97 6.55 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 114.167 -1.379 . . . . 0.0 109.105 171.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -78.69 -21.14 48.64 Favored 'General case' 0 CA--C 1.557 1.245 0 CA-C-O 123.177 1.465 . . . . 0.0 109.966 175.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.688 ' CD1' HD22 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -92.32 -36.56 13.12 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 113.771 -1.559 . . . . 0.0 110.512 -176.726 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.595 HD21 HD22 ' A' ' 12' ' ' LEU . 6.2 mt -111.37 -7.71 14.36 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 125.114 1.509 . . . . 0.0 111.25 -168.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.39 -10.43 7.46 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 124.617 1.198 . . . . 0.0 111.557 -178.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -106.05 29.1 7.01 Favored 'General case' 0 C--N 1.355 0.824 0 O-C-N 124.348 1.03 . . . . 0.0 110.666 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -47.08 -50.15 20.35 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 124.764 1.29 . . . . 0.0 112.943 -179.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -52.99 91.07 0.01 OUTLIER 'General case' 0 C--N 1.358 0.936 0 O-C-N 125.723 1.89 . . . . 0.0 111.374 174.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 175.79 134.29 0.05 OUTLIER 'General case' 0 C--N 1.349 0.572 0 CA-C-N 112.547 -2.115 . . . . 0.0 108.087 -176.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.441 ' O ' ' O ' ' A' ' 45' ' ' GLU . 0.3 OUTLIER -117.72 149.6 40.49 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 112.722 -2.036 . . . . 0.0 106.933 175.511 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.441 ' O ' ' O ' ' A' ' 44' ' ' ASP . 11.4 pt-20 . . . . . 0 C--O 1.277 2.521 1 CA-C-O 108.335 -5.602 . . . . 0.0 113.181 177.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 CA--C 1.534 0.341 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 85.52 -4.62 0.86 Allowed 'General case' 0 C--N 1.348 0.504 0 CA-C-N 113.194 -1.821 . . . . 0.0 113.066 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.407 ' HA ' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -57.88 -18.92 25.78 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 124.909 1.381 . . . . 0.0 113.56 178.069 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.66 -38.63 87.24 Favored 'General case' 0 C--N 1.35 0.598 0 O-C-N 124.768 1.293 . . . . 0.0 111.313 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.31 -27.07 56.43 Favored 'General case' 0 C--O 1.213 -0.843 0 CA-C-N 113.578 -1.646 . . . . 0.0 110.02 174.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.414 HG22 ' HG2' ' A' ' 16' ' ' GLU . 14.3 mt -69.4 -9.18 11.76 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.024 0 C-N-CA 118.974 -1.091 . . . . 0.0 112.144 -172.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -105.14 -27.15 11.77 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 123.898 0.749 . . . . 0.0 110.955 174.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.04 -23.81 38.31 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 124.705 1.253 . . . . 0.0 111.021 -178.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.881 ' HA ' HD12 ' A' ' 12' ' ' LEU . 32.2 mt -84.4 -29.9 25.82 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 112.922 -1.945 . . . . 0.0 109.063 178.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.55 -31.23 37.01 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 112.117 -2.31 . . . . 0.0 110.04 178.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.64 -20.52 59.86 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 113.75 -1.568 . . . . 0.0 111.591 -176.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.881 HD12 ' HA ' ' A' ' 9' ' ' LEU . 1.5 mt -57.97 -21.41 44.34 Favored 'General case' 0 CA--C 1.556 1.187 0 O-C-N 125.054 1.471 . . . . 0.0 110.875 169.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 123.9 12.31 4.51 Favored Glycine 0 CA--C 1.546 2.007 0 O-C-N 124.473 1.108 . . . . 0.0 113.055 175.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.674 ' HB3' HD11 ' A' ' 18' ' ' LEU . 53.7 m-85 -107.9 161.02 24.72 Favored Pre-proline 0 CA--C 1.544 0.735 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 -172.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.592 ' O ' HG23 ' A' ' 19' ' ' VAL . 96.9 Cg_endo -84.64 148.76 11.21 Favored 'Trans proline' 0 CA--C 1.547 1.169 0 C-N-CA 124.932 3.754 . . . . 0.0 113.3 170.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.414 ' HG2' HG22 ' A' ' 6' ' ' ILE . 31.2 mt-10 -52.67 -17.85 1.51 Allowed 'General case' 0 C--N 1.361 1.093 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.82 -44.18 50.68 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 124.284 0.99 . . . . 0.0 112.103 -174.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.674 HD11 ' HB3' ' A' ' 14' ' ' PHE . 1.9 pp -83.5 -20.12 34.52 Favored 'General case' 0 C--N 1.355 0.814 0 O-C-N 124.417 1.073 . . . . 0.0 111.14 177.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 15' ' ' PRO . 21.1 t -66.79 -49.56 73.24 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 O-C-N 125.382 1.676 . . . . 0.0 110.014 -178.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -56.18 -54.04 32.24 Favored 'Isoleucine or valine' 0 C--N 1.351 0.641 0 CA-C-N 113.01 -1.905 . . . . 0.0 110.75 -177.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -71.95 -23.08 61.39 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 112.785 -2.007 . . . . 0.0 110.655 -177.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.68 -48.42 59.77 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 118.627 -1.229 . . . . 0.0 110.787 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.79 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -62.52 -50.91 69.5 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 124.502 1.126 . . . . 0.0 110.212 -178.392 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -62.53 -37.82 87.58 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 112.366 -2.197 . . . . 0.0 112.126 -177.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.77 -29.87 63.66 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 124.392 1.058 . . . . 0.0 110.977 176.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.565 ' SG ' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -91.57 8.89 34.47 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 124.935 1.397 . . . . 0.0 112.04 177.919 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 62.37 74.32 0.44 Allowed 'General case' 0 C--N 1.359 1.02 0 O-C-N 123.823 0.702 . . . . 0.0 111.067 -175.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.447 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 27.21 42.0 0.0 OUTLIER 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 126.119 1.768 . . . . 0.0 114.291 -179.842 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.462 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -102.13 149.23 24.49 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 114.836 -1.075 . . . . 0.0 108.188 -170.62 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.43 -54.6 4.1 Favored 'General case' 0 C--N 1.345 0.398 0 O-C-N 125.229 1.581 . . . . 0.0 110.36 -173.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -67.0 -45.82 76.42 Favored 'General case' 0 C--N 1.347 0.464 0 CA-C-N 113.348 -1.751 . . . . 0.0 110.928 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.565 HD23 ' SG ' ' A' ' 26' ' ' CYS . 3.7 tp -65.87 -32.68 74.33 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 125.206 1.566 . . . . 0.0 111.363 -177.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.692 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -71.25 -36.57 71.82 Favored 'General case' 0 C--N 1.354 0.804 0 O-C-N 125.135 1.522 . . . . 0.0 112.215 176.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.43 10.73 1.5 Allowed 'General case' 0 CA--C 1.549 0.931 0 O-C-N 124.541 1.151 . . . . 0.0 111.844 173.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -116.31 -30.43 5.93 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 113.951 -1.477 . . . . 0.0 109.277 172.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -79.89 -23.36 41.9 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-O 122.82 1.295 . . . . 0.0 109.272 175.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.692 HD12 ' O ' ' A' ' 33' ' ' ALA . 0.6 OUTLIER -86.21 -42.53 13.74 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 113.877 -1.51 . . . . 0.0 110.281 -178.701 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.558 HD11 HD22 ' A' ' 12' ' ' LEU . 6.8 mt -107.15 -5.1 18.19 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 113.719 -1.582 . . . . 0.0 112.47 -166.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.84 -8.09 6.1 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 124.408 1.068 . . . . 0.0 111.029 -179.06 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.16 61.85 0.61 Allowed 'General case' 0 C--N 1.357 0.915 0 CA-C-O 122.549 1.166 . . . . 0.0 108.776 178.101 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -149.42 -157.49 0.82 Allowed 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 112.278 -2.237 . . . . 0.0 107.028 176.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -150.95 146.11 26.04 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 105.994 -1.854 . . . . 0.0 105.994 -174.017 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -44.6 143.91 1.23 Allowed 'General case' 0 C--N 1.356 0.848 0 CA-C-N 113.692 -1.594 . . . . 0.0 110.866 175.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 45' ' ' GLU . 1.4 p30 -47.65 125.31 8.32 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 125.514 1.759 . . . . 0.0 111.893 177.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 44' ' ' ASP . 7.2 tt0 . . . . . 0 C--O 1.251 1.165 1 CA-C-O 107.262 -6.113 . . . . 0.0 111.041 -175.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 . . . . . 0 N--CA 1.456 -0.133 0 CA-C-O 122.454 1.121 . . . . 0.0 109.947 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 86.74 -23.04 0.15 Allowed 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 111.51 -2.586 . . . . 0.0 113.121 176.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -45.98 -26.72 0.76 Allowed 'General case' 0 C--N 1.357 0.933 0 C-N-CA 126.59 1.956 . . . . 0.0 114.115 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.04 -57.71 11.63 Favored 'General case' 0 C--N 1.347 0.487 0 O-C-N 125.065 1.478 . . . . 0.0 110.581 178.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.47 -29.2 68.58 Favored 'General case' 0 C--O 1.21 -0.987 0 CA-C-N 112.556 -2.111 . . . . 0.0 110.286 178.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.6 mt -56.78 -44.65 82.19 Favored 'Isoleucine or valine' 0 C--N 1.359 1.012 0 C-N-CA 118.52 -1.272 . . . . 0.0 111.199 -175.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.22 -23.6 54.59 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 119.019 -1.072 . . . . 0.0 112.361 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.11 -23.33 38.46 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 114.351 -1.295 . . . . 0.0 111.506 -176.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.792 ' HA ' HD12 ' A' ' 12' ' ' LEU . 15.6 mt -88.71 -29.31 19.95 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 112.973 -1.921 . . . . 0.0 108.338 178.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.0 -32.39 57.16 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 112.949 -1.932 . . . . 0.0 110.019 176.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.76 -21.65 59.22 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-N 113.665 -1.607 . . . . 0.0 111.652 -174.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.792 HD12 ' HA ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -57.51 -23.87 52.72 Favored 'General case' 0 CA--C 1.555 1.159 0 O-C-N 124.896 1.372 . . . . 0.0 110.883 169.293 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.16 -1.52 5.79 Favored Glycine 0 CA--C 1.545 1.957 0 O-C-N 124.668 1.23 . . . . 0.0 113.182 175.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.579 ' HB3' HD11 ' A' ' 18' ' ' LEU . 67.1 m-85 -93.54 163.22 25.26 Favored Pre-proline 0 C--O 1.204 -1.297 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -175.092 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -81.87 143.9 13.38 Favored 'Trans proline' 0 C--N 1.379 2.153 0 C-N-CA 123.231 2.621 . . . . 0.0 113.158 170.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -53.86 -20.02 5.28 Favored 'General case' 0 C--N 1.363 1.163 0 O-C-N 124.088 0.867 . . . . 0.0 113.111 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 43.1 t -70.9 -44.35 66.44 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.819 -177.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.579 HD11 ' HB3' ' A' ' 14' ' ' PHE . 1.4 pp -78.43 -22.9 47.01 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 124.224 0.953 . . . . 0.0 111.029 176.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.529 ' N ' HD12 ' A' ' 18' ' ' LEU . 25.0 t -66.74 -50.42 65.87 Favored 'Isoleucine or valine' 0 C--N 1.352 0.706 0 O-C-N 125.48 1.737 . . . . 0.0 110.001 -175.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -52.36 -53.35 19.78 Favored 'Isoleucine or valine' 0 C--N 1.349 0.576 0 O-C-N 125.77 1.918 . . . . 0.0 110.951 -176.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -76.7 -21.98 54.59 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 112.726 -2.034 . . . . 0.0 111.09 -177.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.4 -22.13 44.71 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 119.219 -0.992 . . . . 0.0 112.023 178.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.771 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.2 t80 -85.96 -50.49 7.04 Favored 'General case' 0 C--N 1.346 0.438 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 178.13 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -65.51 -35.27 80.37 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 111.611 -2.54 . . . . 0.0 111.308 -174.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.27 -31.83 66.12 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 123.984 0.802 . . . . 0.0 110.867 175.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.598 ' SG ' HD22 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -89.09 13.25 13.5 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 124.647 1.217 . . . . 0.0 112.471 178.708 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 64.52 67.12 0.58 Allowed 'General case' 0 C--N 1.359 1.015 0 CA-C-O 122.356 1.074 . . . . 0.0 110.028 -177.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 30.92 41.99 0.01 OUTLIER 'General case' 0 CA--C 1.563 1.479 0 CA-C-N 112.728 -2.033 . . . . 0.0 114.383 178.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.439 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.7 OUTLIER -104.26 147.31 27.63 Favored 'General case' 0 C--O 1.209 -1.04 0 CA-C-N 114.625 -1.17 . . . . 0.0 108.445 -168.24 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.31 -51.61 6.46 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 125.251 1.594 . . . . 0.0 109.926 -174.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -67.91 -46.51 71.35 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 113.724 -1.58 . . . . 0.0 111.041 -178.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.598 HD22 ' SG ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -67.96 -34.27 76.23 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 125.083 1.489 . . . . 0.0 110.243 -177.39 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.655 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -67.31 -37.61 83.63 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 124.313 1.008 . . . . 0.0 111.831 176.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.17 13.06 0.76 Allowed 'General case' 0 CA--C 1.55 0.967 0 O-C-N 124.758 1.286 . . . . 0.0 111.921 173.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.34 -35.35 4.66 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 114.125 -1.398 . . . . 0.0 108.447 171.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -80.16 -18.51 49.53 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.378 178.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.721 HD13 HD22 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -93.06 -37.72 12.01 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 113.922 -1.49 . . . . 0.0 110.322 -178.491 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.514 HD21 HD22 ' A' ' 12' ' ' LEU . 5.9 mt -108.03 -10.57 15.45 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 124.991 1.432 . . . . 0.0 111.586 -168.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.48 1.84 7.65 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 124.582 1.176 . . . . 0.0 110.966 -178.342 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -41.34 121.74 1.7 Allowed 'General case' 0 C--N 1.366 1.308 0 O-C-N 124.494 1.121 . . . . 0.0 110.444 171.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -120.59 -89.12 0.61 Allowed 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 111.894 -2.412 . . . . 0.0 106.759 179.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -178.45 31.58 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.699 0 O-C-N 124.836 1.335 . . . . 0.0 110.241 -170.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 69.06 -178.17 0.22 Allowed 'General case' 0 CA--C 1.546 0.809 0 O-C-N 123.904 0.753 . . . . 0.0 109.946 -177.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 49.6 p30 -113.62 46.6 1.27 Allowed 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 114.029 -1.442 . . . . 0.0 111.289 -177.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 . . . . . 0 CA--C 1.549 0.907 0 O-C-N 124.71 1.256 . . . . 0.0 110.266 179.175 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.531 0.23 0 CA-C-O 121.492 0.663 . . . . 0.0 110.038 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 60.72 37.87 18.69 Favored 'General case' 0 C--N 1.348 0.521 0 CA-C-N 112.739 -2.028 . . . . 0.0 112.119 176.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -61.58 -27.74 68.85 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 125.372 1.67 . . . . 0.0 112.896 -175.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -59.87 -29.73 68.51 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 125.32 1.638 . . . . 0.0 111.7 175.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.86 -33.31 15.71 Favored 'General case' 0 C--O 1.211 -0.936 0 CA-C-N 112.797 -2.001 . . . . 0.0 110.211 176.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.4 mm -55.74 -44.15 76.2 Favored 'Isoleucine or valine' 0 C--N 1.359 1.008 0 C-N-CA 119.231 -0.988 . . . . 0.0 110.74 -173.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.19 -23.97 47.34 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 115.157 -0.928 . . . . 0.0 112.975 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.23 -19.23 40.11 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 114.406 -1.27 . . . . 0.0 111.618 -178.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.801 ' HA ' HD12 ' A' ' 12' ' ' LEU . 13.8 mt -90.02 -28.81 18.83 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 113.288 -1.778 . . . . 0.0 108.534 178.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.05 -31.25 44.45 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 112.196 -2.274 . . . . 0.0 110.256 175.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.51 -22.48 57.1 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 113.542 -1.663 . . . . 0.0 111.674 -175.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.801 HD12 ' HA ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -55.94 -22.83 28.4 Favored 'General case' 0 CA--C 1.554 1.115 0 O-C-N 124.994 1.434 . . . . 0.0 110.871 169.552 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.81 -1.95 6.37 Favored Glycine 0 CA--C 1.541 1.677 0 O-C-N 124.667 1.23 . . . . 0.0 113.165 176.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.664 ' HB3' HD11 ' A' ' 18' ' ' LEU . 82.0 m-85 -96.28 163.08 21.56 Favored Pre-proline 0 C--N 1.348 0.526 0 CA-C-N 114.619 -0.791 . . . . 0.0 110.424 -173.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -83.51 143.82 11.11 Favored 'Trans proline' 0 C--N 1.365 1.424 0 C-N-CA 123.201 2.601 . . . . 0.0 112.895 172.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -54.53 -18.46 4.39 Favored 'General case' 0 CA--C 1.557 1.233 0 O-C-N 124.194 0.934 . . . . 0.0 112.821 -178.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.95 -43.6 82.72 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 114.095 -1.411 . . . . 0.0 111.946 -177.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.739 HD12 ' N ' ' A' ' 19' ' ' VAL . 0.8 OUTLIER -79.81 -22.68 42.76 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 124.494 1.121 . . . . 0.0 111.08 176.622 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.739 ' N ' HD12 ' A' ' 18' ' ' LEU . 25.6 t -65.71 -49.16 79.32 Favored 'Isoleucine or valine' 0 C--N 1.354 0.789 0 O-C-N 125.54 1.775 . . . . 0.0 109.664 -173.339 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -51.94 -57.36 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 CA-C-N 112.427 -2.17 . . . . 0.0 109.995 179.227 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -80.24 -2.26 44.24 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 124.599 1.187 . . . . 0.0 112.771 -175.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.75 -20.04 17.13 Favored 'General case' 0 C--N 1.354 0.778 0 O-C-N 124.009 0.818 . . . . 0.0 112.251 176.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.702 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -89.67 -43.85 10.44 Favored 'General case' 0 C--N 1.348 0.526 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 175.026 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -72.16 -37.37 69.39 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-N 112.223 -2.262 . . . . 0.0 111.33 -173.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.61 -25.38 62.15 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 124.349 1.031 . . . . 0.0 111.525 174.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.496 ' SG ' HD23 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -92.57 8.59 38.26 Favored 'General case' 0 C--N 1.351 0.638 0 O-C-N 124.731 1.269 . . . . 0.0 112.615 177.249 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 64.69 70.72 0.48 Allowed 'General case' 0 C--N 1.355 0.825 0 CA-C-O 121.885 0.85 . . . . 0.0 110.526 -177.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.6 mptt 33.32 36.81 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.335 0 CA-C-N 113.285 -1.78 . . . . 0.0 114.478 178.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.494 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 2.6 m-20 -96.38 156.73 16.22 Favored 'General case' 0 C--O 1.212 -0.89 0 CA-C-N 114.009 -1.451 . . . . 0.0 107.811 -170.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.14 -59.54 1.87 Allowed 'General case' 0 C--N 1.35 0.609 0 O-C-N 125.823 1.952 . . . . 0.0 110.288 -173.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.08 -43.65 82.04 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 125.021 1.451 . . . . 0.0 111.025 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.496 HD23 ' SG ' ' A' ' 26' ' ' CYS . 3.4 tp -64.31 -34.15 77.47 Favored 'General case' 0 C--N 1.347 0.48 0 CA-C-N 113.429 -1.714 . . . . 0.0 111.157 -179.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.679 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -68.66 -40.11 80.36 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 125.149 1.531 . . . . 0.0 112.074 176.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.88 9.54 1.48 Allowed 'General case' 0 CA--C 1.546 0.795 0 O-C-N 124.722 1.264 . . . . 0.0 111.585 173.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -113.09 -30.13 7.09 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 114.264 -1.335 . . . . 0.0 109.866 172.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -83.57 -14.97 50.91 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-O 122.497 1.141 . . . . 0.0 110.336 175.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.706 HD13 HD22 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -96.75 -35.72 10.89 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 113.907 -1.497 . . . . 0.0 110.406 -179.391 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.563 HD21 HD22 ' A' ' 12' ' ' LEU . 5.7 mt -113.65 -3.92 13.52 Favored 'General case' 0 C--N 1.349 0.563 0 O-C-N 125.161 1.538 . . . . 0.0 112.075 -170.066 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.92 -9.96 1.79 Allowed 'General case' 0 C--N 1.353 0.757 0 O-C-N 124.387 1.055 . . . . 0.0 112.033 -175.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 20.1 tp60 -54.21 113.75 1.37 Allowed 'General case' 0 C--N 1.36 1.048 0 O-C-N 124.553 1.158 . . . . 0.0 109.714 172.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -116.96 -75.19 0.58 Allowed 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 111.805 -2.452 . . . . 0.0 108.206 178.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -171.23 -161.05 0.2 Allowed 'General case' 0 CA--C 1.552 1.057 0 O-C-N 125.013 1.446 . . . . 0.0 108.485 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -152.72 160.27 43.14 Favored 'General case' 0 C--N 1.358 0.968 0 CA-C-N 113.19 -1.823 . . . . 0.0 107.978 -178.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -170.78 90.82 0.15 Allowed 'General case' 0 C--N 1.357 0.929 0 CA-C-N 113.287 -1.779 . . . . 0.0 108.344 178.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 . . . . . 0 C--N 1.351 0.659 0 CA-C-N 114.384 -1.28 . . . . 0.0 110.475 178.638 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.533 0.289 0 CA-C-O 121.003 0.43 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -112.05 -15.39 13.28 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 114.232 -1.349 . . . . 0.0 113.708 -175.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.4 pttp -45.45 -25.79 0.47 Allowed 'General case' 0 CA--C 1.55 0.964 0 O-C-N 125.522 1.764 . . . . 0.0 114.531 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.13 -53.43 58.32 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 124.996 1.435 . . . . 0.0 111.738 176.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.17 -27.0 64.17 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 113.191 -1.822 . . . . 0.0 110.002 175.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.407 ' HA ' HG11 ' A' ' 19' ' ' VAL . 13.2 mt -67.22 -9.55 10.24 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.029 0 C-N-CA 119.101 -1.04 . . . . 0.0 112.202 -173.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -105.83 -26.95 11.53 Favored 'General case' 0 C--N 1.354 0.791 0 O-C-N 123.689 0.618 . . . . 0.0 111.156 174.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.37 -25.11 42.25 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 124.712 1.257 . . . . 0.0 111.016 -177.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.782 HD11 ' CD1' ' A' ' 23' ' ' TYR . 20.8 mt -84.87 -32.48 23.19 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-N 112.482 -2.145 . . . . 0.0 108.305 178.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.23 -29.49 54.11 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 112.862 -1.972 . . . . 0.0 110.695 178.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.28 -20.43 57.36 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 113.453 -1.703 . . . . 0.0 111.525 -175.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.751 HD12 ' HA ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -58.39 -22.89 55.49 Favored 'General case' 0 CA--C 1.555 1.147 0 O-C-N 125.015 1.447 . . . . 0.0 110.989 169.373 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.99 0.28 6.01 Favored Glycine 0 CA--C 1.545 1.927 0 O-C-N 124.843 1.339 . . . . 0.0 113.127 176.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.598 ' HB3' HD11 ' A' ' 18' ' ' LEU . 65.3 m-85 -94.27 163.66 22.57 Favored Pre-proline 0 C--O 1.248 0.993 0 O-C-N 124.1 0.53 . . . . 0.0 110.847 -174.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.617 ' O ' HG23 ' A' ' 19' ' ' VAL . 94.5 Cg_endo -80.93 150.03 18.05 Favored 'Trans proline' 0 CA--C 1.545 1.075 0 C-N-CA 124.792 3.662 . . . . 0.0 113.734 169.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -54.74 -20.19 7.89 Favored 'General case' 0 C--N 1.358 0.957 0 C-N-CA 124.584 1.154 . . . . 0.0 113.42 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.93 -40.42 32.06 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 114.162 -1.381 . . . . 0.0 111.567 -172.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.598 HD11 ' HB3' ' A' ' 14' ' ' PHE . 1.3 pp -81.23 -23.07 38.3 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 124.77 1.294 . . . . 0.0 110.755 176.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 15' ' ' PRO . 25.3 t -65.21 -52.21 55.55 Favored 'Isoleucine or valine' 0 C--N 1.35 0.63 0 O-C-N 125.486 1.741 . . . . 0.0 110.28 -176.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.503 HD13 ' CE1' ' A' ' 24' ' ' PHE . 0.4 OUTLIER -51.87 -57.76 3.18 Favored 'Isoleucine or valine' 0 C--N 1.351 0.667 0 CA-C-N 112.183 -2.28 . . . . 0.0 110.695 179.852 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -72.87 -17.02 61.57 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 113.141 -1.845 . . . . 0.0 111.549 -176.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.71 -24.58 31.17 Favored 'General case' 0 C--N 1.351 0.643 0 O-C-N 124.571 1.169 . . . . 0.0 112.242 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.782 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -83.36 -48.64 10.18 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 118.801 -1.16 . . . . 0.0 108.856 178.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.503 ' CE1' HD13 ' A' ' 20' ' ' ILE . 10.7 m-85 -65.04 -36.66 85.07 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 112.232 -2.258 . . . . 0.0 111.57 -178.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.36 -29.53 66.23 Favored 'General case' 0 C--N 1.357 0.919 0 O-C-N 123.893 0.745 . . . . 0.0 110.871 175.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.502 ' SG ' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -89.87 11.35 20.55 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 124.861 1.35 . . . . 0.0 112.127 176.72 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 59.26 73.82 0.47 Allowed 'General case' 0 C--N 1.357 0.91 0 CA-C-O 122.409 1.1 . . . . 0.0 110.273 -176.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 27.12 50.44 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.197 0 CA-C-N 111.562 -2.563 . . . . 0.0 114.86 176.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.444 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.6 OUTLIER -115.25 149.09 38.32 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-N 114.32 -1.309 . . . . 0.0 108.977 -169.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.01 -51.63 5.5 Favored 'General case' 0 C--O 1.221 -0.407 0 O-C-N 125.241 1.588 . . . . 0.0 111.17 -172.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -67.74 -46.52 71.89 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 113.1 -1.864 . . . . 0.0 110.432 178.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.502 HD23 ' SG ' ' A' ' 26' ' ' CYS . 3.5 tp -65.89 -33.82 76.71 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 125.32 1.638 . . . . 0.0 111.047 -176.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.658 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -71.4 -36.59 71.43 Favored 'General case' 0 C--N 1.355 0.833 0 O-C-N 125.174 1.546 . . . . 0.0 112.129 177.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.14 11.99 1.31 Allowed 'General case' 0 CA--C 1.551 0.981 0 O-C-N 124.635 1.21 . . . . 0.0 111.43 172.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -118.32 -24.08 7.03 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 114.024 -1.444 . . . . 0.0 110.036 173.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -90.1 -19.73 23.99 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 124.192 0.933 . . . . 0.0 110.78 174.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.714 HD13 HD22 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -88.45 -37.48 15.79 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.239 -1.346 . . . . 0.0 109.949 179.186 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.6 HD21 HD22 ' A' ' 12' ' ' LEU . 4.0 mt -109.98 -4.85 15.67 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 125.174 1.546 . . . . 0.0 111.396 -170.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.33 23.59 0.92 Allowed 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 114.2 -1.364 . . . . 0.0 109.752 -177.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -38.25 -46.79 1.12 Allowed 'General case' 0 C--N 1.365 1.256 0 O-C-N 125.145 1.528 . . . . 0.0 112.52 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -161.51 -69.1 0.06 Allowed 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 112.187 -2.279 . . . . 0.0 108.763 174.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -71.99 130.58 41.31 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 113.753 -1.567 . . . . 0.0 109.989 -173.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.6 t70 169.04 109.17 0.01 OUTLIER 'General case' 0 C--N 1.355 0.848 0 O-C-N 125.561 1.788 . . . . 0.0 107.207 -176.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 59.25 91.66 0.04 OUTLIER 'General case' 0 C--N 1.354 0.789 0 O-C-N 124.946 1.404 . . . . 0.0 110.745 173.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 . . . . . 0 CA--C 1.545 0.753 0 CA-C-N 114.015 -1.448 . . . . 0.0 109.992 178.713 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 . . . . . 0 CA--C 1.535 0.387 0 CA-C-O 121.952 0.882 . . . . 0.0 109.87 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.414 ' O ' HG13 ' A' ' 6' ' ' ILE . 5.2 mp0 -94.53 -22.14 18.42 Favored 'General case' 0 C--N 1.347 0.472 0 CA-C-N 113.053 -1.885 . . . . 0.0 111.1 -177.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -40.03 -32.13 0.15 Allowed 'General case' 0 C--N 1.36 1.032 0 O-C-N 125.922 2.014 . . . . 0.0 114.244 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -57.92 8.52 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-N 113.575 -1.648 . . . . 0.0 111.454 176.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.48 -25.56 63.22 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 113.266 -1.788 . . . . 0.0 110.824 176.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 2' ' ' GLU . 7.8 mt -66.85 -10.56 11.97 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.044 0 C-N-CA 118.859 -1.136 . . . . 0.0 111.92 -176.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -105.14 -27.8 11.37 Favored 'General case' 0 C--N 1.36 1.027 0 O-C-N 124.381 1.05 . . . . 0.0 111.552 174.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.24 -24.11 37.58 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 124.8 1.312 . . . . 0.0 111.425 -177.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.824 ' HA ' HD12 ' A' ' 12' ' ' LEU . 24.2 mt -84.7 -30.84 24.45 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 112.518 -2.128 . . . . 0.0 109.203 178.121 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.03 -30.83 44.39 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 111.992 -2.367 . . . . 0.0 110.658 178.263 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.35 -21.31 59.75 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 113.089 -1.869 . . . . 0.0 111.657 -177.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.824 HD12 ' HA ' ' A' ' 9' ' ' LEU . 0.9 OUTLIER -57.73 -21.02 38.65 Favored 'General case' 0 CA--C 1.554 1.11 0 CA-C-N 113.87 -1.514 . . . . 0.0 111.258 169.364 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.47 13.76 5.12 Favored Glycine 0 C--N 1.359 1.838 0 O-C-N 124.801 1.313 . . . . 0.0 112.836 176.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.653 ' HB3' HD11 ' A' ' 18' ' ' LEU . 31.6 m-85 -107.64 159.55 29.92 Favored Pre-proline 0 C--O 1.259 1.597 0 CA-C-N 114.325 -0.938 . . . . 0.0 108.775 -172.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.647 ' O ' HG23 ' A' ' 19' ' ' VAL . 80.9 Cg_endo -83.15 146.75 12.74 Favored 'Trans proline' 0 CA--C 1.543 0.928 1 C-N-CA 125.478 4.119 . . . . 0.0 113.199 172.201 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -51.7 -19.17 1.47 Allowed 'General case' 0 C--N 1.36 1.03 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.9 t -74.89 -42.4 57.9 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 124.281 0.988 . . . . 0.0 112.742 -175.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.653 HD11 ' HB3' ' A' ' 14' ' ' PHE . 1.6 pp -83.25 -20.24 34.89 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 114.826 -1.079 . . . . 0.0 110.966 177.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 15' ' ' PRO . 37.0 t -67.46 -51.22 54.31 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 CA-C-N 112.968 -1.924 . . . . 0.0 109.87 -176.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.475 HD13 ' CE1' ' A' ' 24' ' ' PHE . 0.4 OUTLIER -54.66 -53.85 28.13 Favored 'Isoleucine or valine' 0 C--N 1.35 0.608 0 CA-C-N 112.26 -2.245 . . . . 0.0 110.382 -178.867 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -72.29 -20.16 61.56 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 112.393 -2.185 . . . . 0.0 110.866 -174.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.72 -50.51 24.24 Favored 'General case' 0 C--O 1.215 -0.717 0 O-C-N 124.395 1.059 . . . . 0.0 110.79 177.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.769 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -60.18 -52.83 63.65 Favored 'General case' 0 C--N 1.356 0.873 0 O-C-N 124.516 1.135 . . . . 0.0 110.587 -179.163 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.475 ' CE1' HD13 ' A' ' 20' ' ' ILE . 4.0 m-85 -60.22 -39.4 86.5 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 112.299 -2.228 . . . . 0.0 111.556 -177.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.47 -29.66 63.85 Favored 'General case' 0 C--N 1.358 0.966 0 O-C-N 124.286 0.992 . . . . 0.0 111.699 177.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.57 ' SG ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -91.91 12.44 21.66 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 125.0 1.438 . . . . 0.0 111.794 178.453 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 61.02 74.79 0.44 Allowed 'General case' 0 C--N 1.357 0.929 0 O-C-N 123.956 0.785 . . . . 0.0 110.84 -175.161 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 29.82 42.73 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.075 0 CA-C-N 112.889 -1.96 . . . . 0.0 114.85 175.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.438 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.8 OUTLIER -109.91 146.0 35.9 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 114.389 -1.278 . . . . 0.0 108.833 -169.033 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.39 -50.58 7.19 Favored 'General case' 0 C--O 1.22 -0.464 0 O-C-N 125.331 1.644 . . . . 0.0 110.976 -176.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.64 -47.46 69.52 Favored 'General case' 0 C--N 1.348 0.515 0 CA-C-N 112.641 -2.072 . . . . 0.0 110.919 -178.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.57 HD23 ' SG ' ' A' ' 26' ' ' CYS . 3.9 tp -68.26 -32.98 73.54 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 112.913 -1.949 . . . . 0.0 111.773 -177.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.718 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -71.34 -36.24 71.48 Favored 'General case' 0 C--N 1.356 0.88 0 O-C-N 125.025 1.453 . . . . 0.0 111.958 177.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.47 9.24 2.28 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 124.671 1.232 . . . . 0.0 111.803 173.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -115.89 -27.56 6.96 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 113.935 -1.484 . . . . 0.0 109.824 173.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -85.07 -19.9 31.21 Favored 'General case' 0 C--O 1.219 -0.536 0 C-N-CA 119.378 -0.929 . . . . 0.0 110.405 175.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.733 HD13 HD22 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -89.23 -41.02 12.46 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 113.96 -1.473 . . . . 0.0 110.185 179.504 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.653 HD21 HD22 ' A' ' 12' ' ' LEU . 5.8 mt -109.43 -4.67 16.18 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 125.015 1.447 . . . . 0.0 112.444 -170.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.51 13.44 2.55 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 125.0 1.437 . . . . 0.0 111.07 -178.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -38.35 90.65 0.0 OUTLIER 'General case' 0 C--N 1.367 1.361 0 O-C-N 125.609 1.818 . . . . 0.0 111.9 -176.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -104.76 -34.56 8.07 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 113.834 -1.53 . . . . 0.0 110.787 -170.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 79.24 52.84 0.02 OUTLIER 'General case' 0 C--N 1.354 0.793 0 O-C-N 125.687 1.867 . . . . 0.0 109.458 176.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -58.69 -21.85 55.64 Favored 'General case' 0 C--N 1.357 0.92 0 CA-C-N 113.496 -1.684 . . . . 0.0 112.666 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.91 104.85 0.59 Allowed 'General case' 0 C--N 1.354 0.799 0 CA-C-N 113.512 -1.677 . . . . 0.0 109.822 173.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.553 1.082 0 CA-C-N 112.281 -2.236 . . . . 0.0 111.813 175.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 . . . . . 0 CA--C 1.543 0.71 0 CA-C-O 121.762 0.792 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.3 0.64 11.19 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 113.76 -1.564 . . . . 0.0 112.16 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.73 -23.32 4.4 Favored 'General case' 0 C--N 1.359 0.979 0 O-C-N 124.872 1.358 . . . . 0.0 113.904 179.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.6 -46.33 90.3 Favored 'General case' 0 C--N 1.349 0.586 0 CA-C-N 113.931 -1.486 . . . . 0.0 112.047 176.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.415 ' CB ' ' CZ ' ' A' ' 23' ' ' TYR . . . -73.08 -28.81 62.52 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 112.81 -1.995 . . . . 0.0 109.747 176.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.1 mt -63.01 -13.9 13.01 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.955 0 C-N-CA 118.744 -1.183 . . . . 0.0 112.475 -175.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -103.15 -29.85 11.07 Favored 'General case' 0 C--N 1.357 0.9 0 O-C-N 124.091 0.869 . . . . 0.0 111.312 175.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.32 -22.16 44.92 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 124.617 1.198 . . . . 0.0 111.569 -176.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.794 ' HA ' HD12 ' A' ' 12' ' ' LEU . 22.4 mt -86.97 -32.89 19.84 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 112.69 -2.05 . . . . 0.0 108.52 177.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.26 -30.06 60.35 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 112.859 -1.973 . . . . 0.0 110.274 177.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.07 -21.46 54.39 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 113.316 -1.766 . . . . 0.0 111.606 -175.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.794 HD12 ' HA ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -57.34 -22.66 43.75 Favored 'General case' 0 CA--C 1.553 1.087 0 O-C-N 124.909 1.381 . . . . 0.0 110.994 169.613 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.0 -3.78 6.01 Favored Glycine 0 CA--C 1.542 1.726 0 O-C-N 124.671 1.232 . . . . 0.0 112.906 176.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.611 ' HB3' HD11 ' A' ' 18' ' ' LEU . 70.8 m-85 -92.31 162.77 29.12 Favored Pre-proline 0 C--N 1.35 0.629 0 O-C-N 124.262 0.625 . . . . 0.0 110.307 -174.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.596 ' O ' HG23 ' A' ' 19' ' ' VAL . 90.2 Cg_endo -83.03 148.64 13.48 Favored 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 123.84 3.026 . . . . 0.0 112.411 170.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -54.13 -20.26 6.36 Favored 'General case' 0 CA--C 1.552 1.046 0 O-C-N 124.423 1.077 . . . . 0.0 113.015 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.5 t -71.21 -44.88 64.51 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.038 -0.983 . . . . 0.0 112.358 -176.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.611 HD11 ' HB3' ' A' ' 14' ' ' PHE . 2.1 pp -80.67 -21.64 41.17 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 119.058 -1.057 . . . . 0.0 111.13 177.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 15' ' ' PRO . 24.7 t -65.94 -51.7 57.78 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 O-C-N 125.51 1.756 . . . . 0.0 110.297 -177.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.542 HD13 ' CE1' ' A' ' 24' ' ' PHE . 0.4 OUTLIER -49.87 -58.26 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.601 0 O-C-N 126.125 2.141 . . . . 0.0 110.676 179.713 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -75.12 -18.01 60.31 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 113.211 -1.813 . . . . 0.0 111.24 -174.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.72 -21.4 34.8 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 123.918 0.761 . . . . 0.0 112.599 178.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.786 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -84.45 -47.32 10.76 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 124.241 0.963 . . . . 0.0 108.424 176.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.542 ' CE1' HD13 ' A' ' 20' ' ' ILE . 2.7 m-85 -67.23 -38.18 84.8 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-N 112.084 -2.325 . . . . 0.0 111.528 -176.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.14 -26.34 63.9 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 124.487 1.117 . . . . 0.0 111.132 175.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.422 ' SG ' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -97.31 10.03 40.67 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 124.808 1.317 . . . . 0.0 112.397 177.139 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 62.27 74.53 0.43 Allowed 'General case' 0 C--N 1.358 0.947 0 O-C-N 123.987 0.805 . . . . 0.0 111.259 -177.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.458 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.4 OUTLIER 25.85 41.59 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 126.288 1.835 . . . . 0.0 114.726 179.426 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.515 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -103.03 151.73 22.17 Favored 'General case' 0 C--O 1.216 -0.67 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -170.026 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.55 -56.37 3.38 Favored 'General case' 0 C--O 1.221 -0.417 0 O-C-N 124.999 1.437 . . . . 0.0 110.577 -174.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -64.92 -47.35 78.05 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 113.315 -1.766 . . . . 0.0 111.25 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.422 HD23 ' SG ' ' A' ' 26' ' ' CYS . 3.9 tp -64.08 -35.88 82.18 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-N 113.289 -1.778 . . . . 0.0 111.139 -177.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.642 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -68.19 -37.05 80.5 Favored 'General case' 0 C--N 1.353 0.734 0 O-C-N 125.172 1.545 . . . . 0.0 112.714 178.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.52 13.05 0.84 Allowed 'General case' 0 CA--C 1.549 0.905 0 O-C-N 124.769 1.293 . . . . 0.0 111.571 173.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -118.24 -29.89 5.42 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 114.017 -1.447 . . . . 0.0 109.6 172.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.401 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 11.4 t80 -80.99 -21.91 39.88 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 119.549 -0.86 . . . . 0.0 110.563 175.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.734 HD13 HD22 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -90.67 -37.81 13.5 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.139 -1.391 . . . . 0.0 110.92 -177.479 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.518 HD21 HD22 ' A' ' 12' ' ' LEU . 4.8 mt -108.71 -10.8 15.14 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 125.067 1.479 . . . . 0.0 111.393 -170.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.49 14.11 4.99 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 124.932 1.395 . . . . 0.0 110.474 -178.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -34.71 125.78 0.52 Allowed 'General case' 0 C--N 1.369 1.438 0 O-C-N 124.939 1.399 . . . . 0.0 111.772 173.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -56.79 170.57 0.4 Allowed 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 112.988 -1.914 . . . . 0.0 110.919 176.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -159.02 -60.59 0.07 Allowed 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 113.436 -1.711 . . . . 0.0 108.263 -177.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 179.12 96.85 0.02 OUTLIER 'General case' 0 C--N 1.353 0.741 0 O-C-N 125.4 1.687 . . . . 0.0 108.253 -176.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.48 120.27 24.8 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 113.897 -1.501 . . . . 0.0 109.222 175.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 . . . . . 0 CA--C 1.547 0.843 0 CA-C-N 113.3 -1.773 . . . . 0.0 109.915 -179.943 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.223 -0.292 0 CA-C-O 121.401 0.619 . . . . 0.0 109.439 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 65.83 10.89 7.22 Favored 'General case' 0 CA--C 1.553 1.064 0 CA-C-N 112.957 -1.929 . . . . 0.0 112.986 173.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 37.2 pttt -57.85 -22.96 50.6 Favored 'General case' 0 C--N 1.359 0.987 0 C-N-CA 126.565 1.946 . . . . 0.0 112.752 -176.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -63.32 -39.38 94.39 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 125.392 1.682 . . . . 0.0 111.873 177.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.69 -25.83 37.93 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 112.633 -2.076 . . . . 0.0 110.293 175.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 44.1 mt -64.68 -12.39 12.68 Favored 'Isoleucine or valine' 0 C--N 1.358 0.974 0 C-N-CA 119.251 -0.98 . . . . 0.0 112.073 -173.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -106.7 -25.6 11.68 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-N 114.665 -1.152 . . . . 0.0 111.059 176.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.43 -21.87 44.97 Favored 'General case' 0 CA--C 1.547 0.827 0 O-C-N 124.458 1.099 . . . . 0.0 111.775 178.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.859 ' HA ' HD12 ' A' ' 12' ' ' LEU . 22.0 mt -90.14 -30.23 17.77 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 112.964 -1.925 . . . . 0.0 109.081 -178.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.75 -31.35 40.99 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 111.549 -2.569 . . . . 0.0 109.924 176.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.0 -20.24 58.01 Favored 'General case' 0 C--N 1.356 0.889 0 CA-C-N 113.548 -1.66 . . . . 0.0 111.829 -176.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.859 HD12 ' HA ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -56.42 -21.56 26.01 Favored 'General case' 0 CA--C 1.555 1.16 0 O-C-N 125.031 1.457 . . . . 0.0 110.962 169.166 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 127.46 -1.1 7.0 Favored Glycine 0 CA--C 1.543 1.837 0 O-C-N 124.603 1.189 . . . . 0.0 112.822 174.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.965 ' HB3' HD11 ' A' ' 18' ' ' LEU . 82.3 m-85 -100.66 163.11 18.74 Favored Pre-proline 0 C--O 1.25 1.098 0 CA-C-N 114.47 -0.865 . . . . 0.0 110.5 -170.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.557 ' HD2' HD21 ' A' ' 18' ' ' LEU . 72.6 Cg_endo -80.77 157.24 21.21 Favored 'Trans proline' 0 C--N 1.357 0.99 0 C-N-CA 124.516 3.478 . . . . 0.0 113.225 175.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.24 -16.16 51.73 Favored 'General case' 0 CA--C 1.552 1.046 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 -176.239 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.34 -40.53 58.22 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 114.011 -1.45 . . . . 0.0 111.86 -170.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.965 HD11 ' HB3' ' A' ' 14' ' ' PHE . 1.9 pp -80.04 -25.78 40.02 Favored 'General case' 0 C--N 1.357 0.901 0 O-C-N 124.73 1.268 . . . . 0.0 110.7 175.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 15' ' ' PRO . 41.1 t -62.19 -54.44 34.35 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.619 0 O-C-N 125.259 1.599 . . . . 0.0 110.54 -175.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -51.65 -53.75 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 CA-C-N 112.335 -2.211 . . . . 0.0 111.15 -178.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -79.32 -13.06 59.89 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 112.899 -1.955 . . . . 0.0 112.175 -174.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.96 -15.51 27.89 Favored 'General case' 0 C--N 1.351 0.654 0 O-C-N 124.218 0.949 . . . . 0.0 111.574 177.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.735 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.1 t80 -90.55 -61.98 1.56 Allowed 'General case' 0 C--N 1.349 0.564 0 O-C-N 124.626 1.204 . . . . 0.0 107.756 177.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -56.2 -33.56 65.43 Favored 'General case' 0 CA--C 1.549 0.939 0 O-C-N 126.109 2.131 . . . . 0.0 113.269 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.75 -32.14 59.86 Favored 'General case' 0 C--N 1.359 0.984 0 C-N-CA 119.076 -1.049 . . . . 0.0 111.398 177.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.513 ' SG ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -92.85 17.79 9.99 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 124.782 1.301 . . . . 0.0 111.82 -179.713 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 60.93 69.36 0.68 Allowed 'General case' 0 C--N 1.36 1.048 0 CA-C-O 122.145 0.974 . . . . 0.0 110.627 -176.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.421 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 26.44 43.06 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.135 0 CA-C-N 112.234 -2.257 . . . . 0.0 114.571 176.369 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -105.09 145.21 30.83 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 -167.083 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.16 -44.0 14.41 Favored 'General case' 0 C--O 1.216 -0.68 0 O-C-N 124.84 1.337 . . . . 0.0 110.454 -173.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -70.41 -48.5 55.81 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 113.04 -1.891 . . . . 0.0 110.885 -179.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.513 HD23 ' SG ' ' A' ' 26' ' ' CYS . 5.2 tp -69.92 -30.46 67.87 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-N 113.389 -1.732 . . . . 0.0 112.051 -175.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.679 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -73.97 -37.73 64.4 Favored 'General case' 0 C--N 1.356 0.876 0 O-C-N 125.215 1.572 . . . . 0.0 111.388 176.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.32 9.69 1.58 Allowed 'General case' 0 CA--C 1.545 0.771 0 O-C-N 124.573 1.17 . . . . 0.0 111.925 173.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -111.86 -35.75 5.62 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 114.025 -1.443 . . . . 0.0 109.031 169.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -82.11 -6.55 59.27 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-O 121.806 0.812 . . . . 0.0 112.36 178.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.726 HD23 HD13 ' A' ' 18' ' ' LEU . 2.0 mt -99.89 -40.1 7.85 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 113.982 -1.463 . . . . 0.0 109.577 178.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.818 HD21 HD22 ' A' ' 12' ' ' LEU . 8.5 mt -103.49 -14.98 16.0 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 113.284 -1.78 . . . . 0.0 111.955 -168.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -111.23 -9.37 14.32 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 124.638 1.211 . . . . 0.0 111.235 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -91.62 37.84 0.97 Allowed 'General case' 0 C--N 1.36 1.058 0 O-C-N 124.453 1.096 . . . . 0.0 110.79 176.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -97.69 -166.99 1.46 Allowed 'General case' 0 C--N 1.351 0.642 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 177.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -87.84 -93.18 0.1 Allowed 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 113.913 -1.494 . . . . 0.0 109.507 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -94.04 164.33 13.12 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 114.165 -1.379 . . . . 0.0 109.127 -178.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -153.7 60.83 0.74 Allowed 'General case' 0 C--N 1.353 0.74 0 CA-C-N 112.75 -2.023 . . . . 0.0 109.362 -175.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 . . . . . 0 CA--C 1.548 0.866 0 CA-C-N 113.846 -1.524 . . . . 0.0 110.311 176.702 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 . . . . . 0 CA--C 1.539 0.554 0 CA-C-O 122.834 1.302 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.0 mp0 -88.65 -32.32 18.09 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-N 112.022 -2.354 . . . . 0.0 111.369 -174.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -37.48 -31.62 0.04 OUTLIER 'General case' 0 C--N 1.357 0.916 0 O-C-N 125.999 2.062 . . . . 0.0 114.841 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -51.01 -55.52 17.02 Favored 'General case' 0 C--N 1.351 0.638 0 O-C-N 125.191 1.557 . . . . 0.0 112.544 174.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.443 ' CB ' ' CZ ' ' A' ' 23' ' ' TYR . . . -78.78 -25.79 44.39 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 112.924 -1.943 . . . . 0.0 110.216 177.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.419 ' CG2' ' HG3' ' A' ' 16' ' ' GLU . 14.2 mt -60.32 -15.28 9.94 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 C-N-CA 118.696 -1.201 . . . . 0.0 112.689 -175.398 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -101.33 -28.98 12.31 Favored 'General case' 0 C--N 1.355 0.844 0 O-C-N 124.071 0.857 . . . . 0.0 111.434 175.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.42 -21.44 55.96 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 124.574 1.171 . . . . 0.0 111.544 -178.203 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.9 ' HA ' HD12 ' A' ' 12' ' ' LEU . 18.0 mt -92.29 -28.12 17.17 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-N 112.958 -1.928 . . . . 0.0 109.174 -178.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.16 -28.18 38.85 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 111.88 -2.418 . . . . 0.0 110.201 175.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.21 -19.04 51.76 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 113.354 -1.748 . . . . 0.0 111.328 -176.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.9 HD12 ' HA ' ' A' ' 9' ' ' LEU . 1.0 OUTLIER -56.47 -21.49 26.04 Favored 'General case' 0 C--N 1.356 0.877 0 O-C-N 124.998 1.436 . . . . 0.0 111.432 168.198 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 126.73 -1.51 7.42 Favored Glycine 0 C--N 1.354 1.574 0 O-C-N 125.065 1.478 . . . . 0.0 112.033 177.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.436 ' HB3' HD11 ' A' ' 18' ' ' LEU . 18.0 m-30 -101.02 164.64 15.68 Favored Pre-proline 0 C--O 1.252 1.22 0 CA-C-N 113.862 -1.169 . . . . 0.0 110.074 -167.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.543 ' O ' HG23 ' A' ' 19' ' ' VAL . 93.9 Cg_endo -87.93 149.35 7.05 Favored 'Trans proline' 0 CA--C 1.537 0.661 0 C-N-CA 124.87 3.714 . . . . 0.0 112.601 175.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.419 ' HG3' ' CG2' ' A' ' 6' ' ' ILE . 27.5 tt0 -54.87 -16.23 2.52 Favored 'General case' 0 CA--C 1.556 1.176 0 CA-C-N 114.529 -1.214 . . . . 0.0 113.648 -179.207 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.64 -46.98 51.32 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 114.965 -1.016 . . . . 0.0 112.117 -175.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.524 HD13 HD23 ' A' ' 37' ' ' LEU . 2.8 pp -80.31 -22.55 41.41 Favored 'General case' 0 C--N 1.358 0.959 0 O-C-N 124.594 1.184 . . . . 0.0 111.155 177.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 15' ' ' PRO . 23.6 t -65.34 -51.01 69.8 Favored 'Isoleucine or valine' 0 C--N 1.35 0.611 0 O-C-N 125.634 1.834 . . . . 0.0 110.23 -177.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.472 HD13 ' CE1' ' A' ' 24' ' ' PHE . 0.4 OUTLIER -51.83 -55.63 8.66 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 CA-C-N 112.731 -2.031 . . . . 0.0 110.242 -178.88 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -76.31 -16.52 59.75 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 112.842 -1.981 . . . . 0.0 111.6 -173.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.61 -25.97 30.37 Favored 'General case' 0 C--O 1.217 -0.63 0 O-C-N 124.438 1.086 . . . . 0.0 112.295 177.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.75 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.8 OUTLIER -81.2 -48.49 12.01 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 124.286 0.991 . . . . 0.0 108.45 178.004 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.472 ' CE1' HD13 ' A' ' 20' ' ' ILE . 2.8 m-85 -64.3 -38.29 90.52 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 111.391 -2.64 . . . . 0.0 111.164 -176.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.5 -29.57 64.95 Favored 'General case' 0 C--N 1.358 0.963 0 O-C-N 124.141 0.901 . . . . 0.0 111.427 176.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.492 ' SG ' ' HB2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -92.51 13.22 20.36 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 124.78 1.3 . . . . 0.0 112.229 178.015 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 60.94 72.01 0.54 Allowed 'General case' 0 C--N 1.357 0.913 0 CA-C-O 122.035 0.921 . . . . 0.0 110.394 -177.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.404 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 32.79 41.44 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 112.678 -2.056 . . . . 0.0 115.312 174.232 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.433 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.7 OUTLIER -108.71 147.34 32.1 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-N 114.259 -1.337 . . . . 0.0 109.058 -168.51 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.93 -50.75 6.23 Favored 'General case' 0 C--O 1.219 -0.521 0 O-C-N 125.295 1.622 . . . . 0.0 110.923 -172.327 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -70.64 -45.05 65.9 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 112.578 -2.101 . . . . 0.0 110.666 178.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.448 HD23 ' SG ' ' A' ' 26' ' ' CYS . 3.5 tp -64.26 -36.99 85.9 Favored 'General case' 0 C--N 1.356 0.851 0 O-C-N 125.325 1.64 . . . . 0.0 110.891 -177.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.679 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -69.86 -40.29 75.84 Favored 'General case' 0 C--N 1.357 0.913 0 O-C-N 125.461 1.726 . . . . 0.0 112.426 179.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.34 9.22 1.37 Allowed 'General case' 0 CA--C 1.55 0.955 0 O-C-N 124.522 1.139 . . . . 0.0 112.043 174.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -116.45 -28.14 6.56 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 113.837 -1.529 . . . . 0.0 109.05 172.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.492 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 23.6 t80 -85.91 -11.75 52.4 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-O 122.533 1.158 . . . . 0.0 110.695 177.252 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.735 ' CD1' HD22 ' A' ' 9' ' ' LEU . 2.3 mt -96.54 -44.79 7.01 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 113.5 -1.682 . . . . 0.0 108.64 -179.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.88 HD21 HD22 ' A' ' 12' ' ' LEU . 7.2 mt -102.69 -6.24 22.91 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-N 113.526 -1.67 . . . . 0.0 113.574 -170.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.67 -8.69 7.91 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 124.752 1.283 . . . . 0.0 111.004 178.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -116.29 78.54 1.2 Allowed 'General case' 0 C--N 1.357 0.915 0 O-C-N 124.717 1.261 . . . . 0.0 108.717 178.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -156.1 -150.34 0.29 Allowed 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 112.939 -1.937 . . . . 0.0 107.134 175.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -155.17 -66.99 0.13 Allowed 'General case' 0 C--N 1.349 0.555 0 O-C-N 124.457 1.098 . . . . 0.0 109.163 -176.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -53.8 -45.66 70.81 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 113.932 -1.485 . . . . 0.0 111.548 -173.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -156.86 132.18 9.19 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 112.756 -2.02 . . . . 0.0 108.065 177.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 . . . . . 0 CA--C 1.547 0.865 0 O-C-N 124.956 1.41 . . . . 0.0 110.946 176.34 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 . . . . . 0 CA--C 1.509 -0.612 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -173.55 -30.0 0.01 OUTLIER 'General case' 0 C--N 1.351 0.669 0 O-C-N 125.524 1.765 . . . . 0.0 112.762 174.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.7 pttt -36.66 -32.53 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 127.333 2.253 . . . . 0.0 115.134 179.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -48.55 -61.4 2.04 Favored 'General case' 0 C--N 1.345 0.39 0 O-C-N 125.22 1.575 . . . . 0.0 111.994 173.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.429 ' CB ' ' CZ ' ' A' ' 23' ' ' TYR . . . -71.58 -24.88 61.99 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-N 114.028 -1.442 . . . . 0.0 110.974 178.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.6 mt -65.51 -11.25 11.8 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 C-N-CA 118.711 -1.196 . . . . 0.0 111.846 -177.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.63 -25.72 12.14 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 124.153 0.908 . . . . 0.0 111.024 176.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.29 -24.04 30.06 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 124.58 1.175 . . . . 0.0 111.236 -177.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.882 ' HA ' HD12 ' A' ' 12' ' ' LEU . 16.7 mt -86.97 -33.22 19.71 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 112.604 -2.089 . . . . 0.0 108.274 177.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -35.11 67.03 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 112.921 -1.945 . . . . 0.0 110.117 175.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.79 -20.77 56.05 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-N 114.024 -1.443 . . . . 0.0 111.652 -173.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.882 HD12 ' HA ' ' A' ' 9' ' ' LEU . 2.0 mt -56.86 -23.13 42.05 Favored 'General case' 0 CA--C 1.555 1.137 0 O-C-N 125.235 1.584 . . . . 0.0 110.924 169.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.55 -5.98 5.89 Favored Glycine 0 CA--C 1.539 1.57 0 O-C-N 124.734 1.271 . . . . 0.0 112.794 176.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.551 ' HB3' HD11 ' A' ' 18' ' ' LEU . 83.7 m-85 -91.93 162.6 30.37 Favored Pre-proline 0 C--O 1.237 0.44 0 O-C-N 124.514 0.773 . . . . 0.0 110.306 -174.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.608 ' O ' HG23 ' A' ' 19' ' ' VAL . 93.7 Cg_endo -83.51 147.62 12.53 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 124.275 3.317 . . . . 0.0 112.71 171.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -54.56 -19.51 6.07 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 124.3 1.0 . . . . 0.0 113.177 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.9 t -70.15 -44.59 68.52 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.984 -176.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.551 HD11 ' HB3' ' A' ' 14' ' ' PHE . 2.2 pp -81.67 -22.24 37.63 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 124.375 1.047 . . . . 0.0 111.608 177.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 15' ' ' PRO . 24.5 t -66.45 -52.83 42.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 O-C-N 125.521 1.763 . . . . 0.0 109.642 -175.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -51.63 -53.12 17.93 Favored 'Isoleucine or valine' 0 C--N 1.348 0.526 0 O-C-N 125.775 1.922 . . . . 0.0 111.704 -178.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -77.36 -23.15 50.86 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 112.434 -2.166 . . . . 0.0 110.429 -174.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.17 -28.31 57.29 Favored 'General case' 0 C--N 1.35 0.623 0 O-C-N 124.834 1.334 . . . . 0.0 111.451 177.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.778 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -78.88 -56.08 4.66 Favored 'General case' 0 C--N 1.346 0.421 0 O-C-N 124.6 1.188 . . . . 0.0 108.971 -179.26 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -60.6 -34.42 74.19 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 112.229 -2.26 . . . . 0.0 111.555 -178.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.73 -36.62 78.63 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 124.057 0.848 . . . . 0.0 110.905 174.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.697 ' SG ' HD22 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -84.26 4.05 32.64 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.781 1.301 . . . . 0.0 112.222 176.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 58.11 63.85 1.65 Allowed 'General case' 0 C--N 1.359 0.981 0 O-C-N 124.332 1.02 . . . . 0.0 111.094 -174.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.498 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 27.14 45.63 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 112.068 -2.333 . . . . 0.0 114.614 173.523 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -87.18 -17.48 32.57 Favored 'General case' 0 C--N 1.347 0.473 0 CA-C-N 112.474 -2.148 . . . . 0.0 110.919 -165.199 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . 0.273 0.9 OUTLIER 85.66 -70.3 0.03 OUTLIER 'General case' 0 C--N 1.349 0.549 0 O-C-N 125.668 1.855 . . . . 0.0 111.1 173.205 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -64.46 -45.0 89.31 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 112.83 -1.986 . . . . 0.0 110.843 176.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.697 HD22 ' SG ' ' A' ' 26' ' ' CYS . 0.2 OUTLIER -67.65 -31.13 70.91 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 124.695 1.247 . . . . 0.0 110.728 -179.269 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.684 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -67.97 -39.19 83.39 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-N 114.034 -1.439 . . . . 0.0 111.924 178.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.25 8.77 1.96 Allowed 'General case' 0 CA--C 1.548 0.903 0 O-C-N 124.842 1.338 . . . . 0.0 112.321 173.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -115.82 -24.87 7.99 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 114.472 -1.24 . . . . 0.0 109.589 173.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -87.92 -16.61 33.38 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 119.653 -0.819 . . . . 0.0 110.891 176.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.765 HD13 HD22 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -93.31 -38.49 11.47 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 113.112 -1.858 . . . . 0.0 109.913 178.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.8 mt -112.96 -5.93 13.78 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 124.776 1.297 . . . . 0.0 111.504 -170.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.74 17.1 2.33 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 124.736 1.272 . . . . 0.0 110.335 -177.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.21 127.02 1.74 Allowed 'General case' 0 C--N 1.36 1.03 0 O-C-N 125.414 1.696 . . . . 0.0 111.501 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -109.26 -175.99 2.91 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-N 113.885 -1.507 . . . . 0.0 108.324 -177.134 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -103.33 -161.07 0.81 Allowed 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 113.119 -1.855 . . . . 0.0 107.001 -176.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -165.57 99.27 0.69 Allowed 'General case' 0 C--N 1.352 0.687 0 CA-C-N 114.527 -1.215 . . . . 0.0 108.474 176.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -115.8 125.47 52.75 Favored 'General case' 0 C--N 1.348 0.528 0 CA-C-N 113.754 -1.567 . . . . 0.0 107.729 -178.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 . . . . . 0 CA--C 1.549 0.937 0 O-C-N 124.63 1.206 . . . . 0.0 110.742 -179.965 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 . . . . . 0 C--O 1.224 -0.244 0 CA-C-O 121.704 0.764 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -95.97 -1.52 48.88 Favored 'General case' 0 C--O 1.216 -0.68 0 CA-C-N 113.348 -1.751 . . . . 0.0 112.877 -178.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.89 -23.15 6.5 Favored 'General case' 0 C--N 1.361 1.081 0 O-C-N 125.374 1.671 . . . . 0.0 113.495 178.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -59.58 -49.58 77.23 Favored 'General case' 0 C--N 1.36 1.031 0 CA-C-N 112.985 -1.916 . . . . 0.0 110.098 -178.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.79 -31.55 46.06 Favored 'General case' 0 C--O 1.205 -1.282 0 CA-C-N 112.031 -2.35 . . . . 0.0 111.124 176.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.6 mm -56.77 -44.81 82.46 Favored 'Isoleucine or valine' 0 C--N 1.363 1.166 0 C-N-CA 119.308 -0.957 . . . . 0.0 110.696 -171.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -76.44 -25.81 54.79 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 114.129 -1.396 . . . . 0.0 112.684 178.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -79.32 -18.84 51.76 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 124.655 1.222 . . . . 0.0 111.622 -178.023 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.845 ' HA ' HD12 ' A' ' 12' ' ' LEU . 10.9 mt -91.67 -28.92 17.16 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 125.43 1.706 . . . . 0.0 108.908 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.08 -30.89 44.16 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 111.422 -2.626 . . . . 0.0 110.632 175.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.56 -23.08 56.54 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 113.317 -1.765 . . . . 0.0 111.704 -176.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.845 HD12 ' HA ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -55.59 -22.37 21.85 Favored 'General case' 0 CA--C 1.553 1.092 0 O-C-N 125.213 1.571 . . . . 0.0 111.012 169.475 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 125.28 1.95 7.75 Favored Glycine 0 C--N 1.36 1.868 0 O-C-N 124.705 1.253 . . . . 0.0 113.021 175.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.602 ' HB3' HD11 ' A' ' 18' ' ' LEU . 98.7 m-85 -99.83 163.04 19.19 Favored Pre-proline 0 C--O 1.216 -0.697 0 CA-C-N 114.028 -1.086 . . . . 0.0 109.738 -173.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -82.4 143.71 12.51 Favored 'Trans proline' 0 C--N 1.372 1.787 0 C-N-CA 122.748 2.298 . . . . 0.0 112.549 173.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -53.66 -18.06 2.71 Favored 'General case' 0 C--N 1.366 1.319 0 O-C-N 124.144 0.903 . . . . 0.0 113.181 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.65 -42.06 82.82 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 114.248 -1.342 . . . . 0.0 112.322 -177.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.763 HD12 ' N ' ' A' ' 19' ' ' VAL . 0.4 OUTLIER -78.48 -22.56 47.3 Favored 'General case' 0 C--N 1.356 0.884 0 C-N-CA 118.657 -1.217 . . . . 0.0 110.539 176.341 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.763 ' N ' HD12 ' A' ' 18' ' ' LEU . 21.7 t -66.87 -50.98 60.13 Favored 'Isoleucine or valine' 0 C--N 1.354 0.763 0 O-C-N 125.848 1.968 . . . . 0.0 108.994 -169.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.416 HD13 ' CE1' ' A' ' 24' ' ' PHE . 0.4 OUTLIER -50.55 -56.08 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 CA-C-N 111.58 -2.554 . . . . 0.0 110.165 179.579 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -84.01 -1.42 54.7 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 114.16 -1.382 . . . . 0.0 112.815 -174.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.52 -15.2 17.94 Favored 'General case' 0 C--N 1.362 1.111 0 O-C-N 124.526 1.141 . . . . 0.0 112.199 175.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.722 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -94.04 -49.39 5.8 Favored 'General case' 0 C--O 1.215 -0.753 0 O-C-N 124.885 1.365 . . . . 0.0 108.306 175.899 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.416 ' CE1' HD13 ' A' ' 20' ' ' ILE . 2.2 m-85 -67.22 -37.02 82.89 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 111.664 -2.516 . . . . 0.0 111.076 -175.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.12 -29.17 63.81 Favored 'General case' 0 C--N 1.357 0.907 0 O-C-N 124.372 1.045 . . . . 0.0 111.489 175.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.515 ' SG ' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -90.78 11.6 21.88 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 124.86 1.35 . . . . 0.0 112.244 178.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 62.23 75.1 0.42 Allowed 'General case' 0 C--N 1.358 0.94 0 O-C-N 124.242 0.964 . . . . 0.0 110.453 -176.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.414 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 3.4 mmtp 23.78 51.81 0.02 OUTLIER 'General case' 0 CA--C 1.56 1.363 0 CA-C-N 112.836 -1.983 . . . . 0.0 115.094 178.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.441 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -113.29 139.75 48.57 Favored 'General case' 0 C--O 1.201 -1.459 0 CA-C-N 114.099 -1.41 . . . . 0.0 108.489 -169.111 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -79.04 -51.1 10.04 Favored 'General case' 0 C--N 1.359 0.979 0 O-C-N 125.591 1.807 . . . . 0.0 111.267 -178.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.13 -46.71 73.3 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 113.429 -1.714 . . . . 0.0 110.555 -176.01 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.515 HD23 ' SG ' ' A' ' 26' ' ' CYS . 5.3 tp -69.6 -30.98 68.86 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 112.779 -2.01 . . . . 0.0 112.189 -176.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.695 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -71.21 -39.1 71.95 Favored 'General case' 0 C--O 1.21 -0.989 0 O-C-N 125.199 1.562 . . . . 0.0 112.104 176.25 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.43 8.05 1.98 Allowed 'General case' 0 CA--C 1.546 0.816 0 O-C-N 124.887 1.367 . . . . 0.0 111.824 174.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -116.08 -23.14 8.62 Favored 'General case' 0 C--O 1.209 -1.03 0 CA-C-N 114.234 -1.348 . . . . 0.0 110.394 173.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -88.67 -16.36 32.55 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 119.395 -0.922 . . . . 0.0 111.332 175.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.695 HD12 ' O ' ' A' ' 33' ' ' ALA . 0.6 OUTLIER -95.33 -36.63 11.32 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 112.833 -1.985 . . . . 0.0 110.585 -179.63 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.74 HD21 HD22 ' A' ' 12' ' ' LEU . 6.3 mt -113.33 -6.38 13.55 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 125.028 1.455 . . . . 0.0 111.586 -172.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.61 30.03 1.11 Allowed 'General case' 0 C--O 1.215 -0.762 0 CA-C-N 114.033 -1.44 . . . . 0.0 109.126 -177.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -41.78 -41.1 2.24 Favored 'General case' 0 C--N 1.368 1.376 0 O-C-N 125.415 1.697 . . . . 0.0 111.895 176.001 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -112.45 -154.0 0.53 Allowed 'General case' 0 C--N 1.358 0.944 0 CA-C-N 112.272 -2.24 . . . . 0.0 107.511 -178.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -118.35 -79.27 0.59 Allowed 'General case' 0 C--N 1.361 1.067 0 O-C-N 125.002 1.439 . . . . 0.0 109.324 -178.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -160.11 14.98 0.13 Allowed 'General case' 0 C--N 1.352 0.717 0 CA-C-N 114.301 -1.318 . . . . 0.0 111.432 -175.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 63.69 106.9 0.03 OUTLIER 'General case' 0 C--N 1.357 0.922 0 O-C-N 125.114 1.509 . . . . 0.0 110.088 176.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 mp0 . . . . . 0 CA--C 1.556 1.18 0 C-N-CA 119.612 -0.835 . . . . 0.0 110.403 -179.709 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 . . . . . 0 CA--C 1.535 0.385 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.82 -27.25 18.1 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 113.138 -1.847 . . . . 0.0 111.86 -179.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -19.83 56.93 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 125.653 1.846 . . . . 0.0 113.123 178.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.31 -26.23 68.67 Favored 'General case' 0 C--N 1.351 0.645 0 O-C-N 124.936 1.398 . . . . 0.0 112.211 178.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -97.12 -28.59 14.05 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 112.561 -2.108 . . . . 0.0 109.998 176.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.2 mm -64.08 -12.67 12.26 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.195 0 C-N-CA 118.429 -1.308 . . . . 0.0 111.773 -174.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -106.03 -28.88 10.27 Favored 'General case' 0 C--N 1.356 0.88 0 O-C-N 124.362 1.039 . . . . 0.0 111.568 176.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -79.95 -22.03 43.11 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 124.754 1.284 . . . . 0.0 111.165 -178.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.813 ' HA ' HD12 ' A' ' 12' ' ' LEU . 25.9 mt -88.05 -32.42 18.77 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-N 113.02 -1.9 . . . . 0.0 108.034 179.106 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.93 -31.83 59.3 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 112.565 -2.107 . . . . 0.0 110.48 177.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.37 -20.89 56.73 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 113.298 -1.774 . . . . 0.0 111.717 -175.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.813 HD12 ' HA ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -57.25 -22.85 44.24 Favored 'General case' 0 CA--C 1.554 1.124 0 O-C-N 124.89 1.369 . . . . 0.0 110.968 169.637 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.7 -3.29 5.72 Favored Glycine 0 CA--C 1.543 1.791 0 O-C-N 124.776 1.297 . . . . 0.0 112.877 176.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.592 ' HB3' HD11 ' A' ' 18' ' ' LEU . 69.2 m-85 -93.45 163.44 24.65 Favored Pre-proline 0 C--O 1.254 1.322 0 O-C-N 124.186 0.58 . . . . 0.0 111.07 -174.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.562 ' O ' HG23 ' A' ' 19' ' ' VAL . 84.5 Cg_endo -83.56 149.04 12.82 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 124.619 3.546 . . . . 0.0 112.394 170.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -55.7 -17.53 6.08 Favored 'General case' 0 CA--C 1.552 1.045 0 O-C-N 124.507 1.129 . . . . 0.0 113.062 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.49 -45.18 63.18 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 114.617 -1.174 . . . . 0.0 112.122 -175.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.592 HD11 ' HB3' ' A' ' 14' ' ' PHE . 2.1 pp -82.25 -19.79 38.89 Favored 'General case' 0 C--N 1.356 0.89 0 O-C-N 124.545 1.153 . . . . 0.0 111.126 178.001 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 15' ' ' PRO . 25.5 t -68.69 -48.4 71.68 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 O-C-N 125.382 1.676 . . . . 0.0 110.015 -177.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -52.03 -53.96 15.86 Favored 'Isoleucine or valine' 0 C--N 1.352 0.717 0 O-C-N 125.682 1.864 . . . . 0.0 111.318 -178.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -78.61 -20.06 51.28 Favored 'General case' 0 C--N 1.347 0.479 0 CA-C-N 112.435 -2.166 . . . . 0.0 110.44 -175.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.69 -24.9 44.76 Favored 'General case' 0 C--N 1.351 0.645 0 O-C-N 124.021 0.826 . . . . 0.0 112.171 177.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.713 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -83.59 -50.31 8.36 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 124.758 1.286 . . . . 0.0 108.333 178.783 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -66.4 -34.05 77.09 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 112.003 -2.362 . . . . 0.0 112.159 -175.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.72 -28.88 62.93 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 124.272 0.982 . . . . 0.0 111.128 174.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -91.41 5.11 50.65 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 124.785 1.303 . . . . 0.0 112.79 177.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 62.91 72.8 0.48 Allowed 'General case' 0 C--N 1.358 0.953 0 O-C-N 124.239 0.962 . . . . 0.0 110.102 -174.12 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.492 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.2 OUTLIER 31.58 39.08 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.268 0 CA-C-N 112.8 -2.0 . . . . 0.0 114.604 176.245 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.418 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 1.6 m-20 -98.84 143.95 28.59 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-N 114.643 -1.162 . . . . 0.0 108.27 -169.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -76.55 -63.65 1.29 Allowed 'General case' 0 C--O 1.22 -0.466 0 O-C-N 124.609 1.193 . . . . 0.0 111.166 -178.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -62.95 -45.05 94.27 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-N 113.636 -1.62 . . . . 0.0 111.322 -175.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.8 tp -64.99 -33.05 75.13 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-N 113.372 -1.74 . . . . 0.0 111.695 -178.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.679 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -71.16 -36.22 71.94 Favored 'General case' 0 C--N 1.354 0.794 0 O-C-N 125.128 1.517 . . . . 0.0 111.845 176.47 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.25 13.32 0.94 Allowed 'General case' 0 CA--C 1.548 0.872 0 O-C-N 124.644 1.215 . . . . 0.0 111.618 173.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.86 -30.09 5.49 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-N 114.043 -1.435 . . . . 0.0 109.447 172.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -81.93 -22.71 36.6 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 121.921 0.867 . . . . 0.0 110.95 176.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.712 ' CD1' HD22 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -88.02 -39.47 14.63 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 113.445 -1.707 . . . . 0.0 110.516 -177.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.494 HD21 HD22 ' A' ' 12' ' ' LEU . 4.6 mt -105.32 -10.48 16.99 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 125.436 1.71 . . . . 0.0 111.313 -170.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -123.6 -37.0 2.69 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 124.467 1.104 . . . . 0.0 109.817 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 40.18 -91.88 0.01 OUTLIER 'General case' 0 C--N 1.367 1.337 0 O-C-N 126.034 2.084 . . . . 0.0 111.214 -179.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -161.21 -46.12 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 112.333 -2.212 . . . . 0.0 108.997 177.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -128.39 85.23 2.31 Favored 'General case' 0 C--N 1.357 0.901 0 O-C-N 124.724 1.265 . . . . 0.0 109.91 -177.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 167.53 165.98 0.03 OUTLIER 'General case' 0 C--N 1.356 0.86 0 O-C-N 125.527 1.767 . . . . 0.0 109.254 175.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.08 -53.91 4.36 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 112.591 -2.095 . . . . 0.0 111.138 177.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 . . . . . 0 CA--C 1.547 0.863 0 O-C-N 125.212 1.57 . . . . 0.0 109.217 -179.128 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 . . . . . 0 CA--C 1.536 0.417 0 CA-C-O 121.887 0.851 . . . . 0.0 109.982 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -80.99 -17.84 48.99 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 113.151 -1.84 . . . . 0.0 114.342 -178.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.8 ptmm? -32.99 -32.6 0.01 OUTLIER 'General case' 0 C--N 1.354 0.8 0 C-N-CA 126.861 2.064 . . . . 0.0 115.086 177.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.03 -56.51 20.77 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 125.137 1.523 . . . . 0.0 112.405 177.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.0 -24.27 61.55 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 113.509 -1.678 . . . . 0.0 110.712 175.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.436 ' HA ' HG11 ' A' ' 19' ' ' VAL . 17.6 mt -63.95 -12.74 12.2 Favored 'Isoleucine or valine' 0 C--N 1.359 0.993 0 C-N-CA 119.13 -1.028 . . . . 0.0 111.959 -175.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -102.61 -26.77 13.09 Favored 'General case' 0 C--N 1.356 0.888 0 O-C-N 124.057 0.848 . . . . 0.0 111.478 175.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.14 -24.88 40.13 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 114.674 -1.148 . . . . 0.0 111.413 -177.037 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.86 ' HA ' HD12 ' A' ' 12' ' ' LEU . 24.5 mt -86.9 -29.12 22.37 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 112.362 -2.199 . . . . 0.0 109.778 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.56 -31.17 36.94 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 111.657 -2.519 . . . . 0.0 110.476 177.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.77 -20.69 59.7 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 113.425 -1.716 . . . . 0.0 111.613 -177.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.86 HD12 ' HA ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -58.17 -20.99 45.25 Favored 'General case' 0 CA--C 1.556 1.205 0 O-C-N 125.143 1.527 . . . . 0.0 110.923 169.246 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 124.9 3.92 7.44 Favored Glycine 0 C--N 1.358 1.794 0 O-C-N 124.598 1.186 . . . . 0.0 113.121 174.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.633 ' HB3' HD11 ' A' ' 18' ' ' LEU . 99.4 m-85 -101.05 162.33 20.92 Favored Pre-proline 0 C--O 1.256 1.412 0 CA-C-N 114.558 -0.821 . . . . 0.0 110.542 -172.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -80.75 140.91 13.26 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 124.666 3.577 . . . . 0.0 112.392 172.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -50.45 -21.34 1.43 Allowed 'General case' 0 CA--C 1.552 1.041 0 O-C-N 124.51 1.131 . . . . 0.0 113.104 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.77 -43.53 72.0 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 114.714 -1.13 . . . . 0.0 111.87 -174.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.691 HD12 ' N ' ' A' ' 19' ' ' VAL . 1.2 pp -79.4 -22.33 44.46 Favored 'General case' 0 C--N 1.36 1.06 0 O-C-N 124.694 1.246 . . . . 0.0 111.085 175.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.691 ' N ' HD12 ' A' ' 18' ' ' LEU . 16.1 t -64.2 -52.54 54.64 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.604 0 O-C-N 125.362 1.664 . . . . 0.0 109.758 -174.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -49.77 -56.84 2.65 Favored 'Isoleucine or valine' 0 C--N 1.35 0.613 0 CA-C-N 112.093 -2.321 . . . . 0.0 111.336 179.633 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -76.78 -20.29 56.62 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 112.817 -1.992 . . . . 0.0 111.132 -173.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.4 -19.55 38.89 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 124.617 1.198 . . . . 0.0 111.901 178.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.73 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -84.83 -57.15 3.23 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 124.521 1.138 . . . . 0.0 108.46 178.806 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -61.13 -33.33 73.21 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 111.422 -2.627 . . . . 0.0 111.896 -178.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.15 -36.43 77.41 Favored 'General case' 0 C--N 1.359 1.016 0 O-C-N 123.983 0.802 . . . . 0.0 110.939 174.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.34 3.88 37.74 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 114.03 -1.441 . . . . 0.0 112.266 177.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 59.17 62.32 1.86 Allowed 'General case' 0 C--N 1.361 1.106 0 O-C-N 124.247 0.967 . . . . 0.0 111.49 -175.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.451 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 4.5 mptt 27.65 46.31 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.076 0 CA-C-N 112.342 -2.208 . . . . 0.0 114.602 176.173 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -85.94 -17.3 35.83 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 113.183 -1.826 . . . . 0.0 112.13 -165.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . 0.281 1.0 OUTLIER 85.59 -67.77 0.03 OUTLIER 'General case' 0 C--N 1.35 0.62 0 O-C-N 125.641 1.838 . . . . 0.0 111.289 173.458 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -65.18 -45.84 83.22 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 112.903 -1.953 . . . . 0.0 111.105 175.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.9 tp -67.8 -29.43 68.6 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 125.044 1.465 . . . . 0.0 111.867 -178.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.706 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -72.15 -37.75 69.34 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 112.913 -1.949 . . . . 0.0 112.038 177.059 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.71 12.91 0.91 Allowed 'General case' 0 CA--C 1.547 0.847 0 O-C-N 124.555 1.159 . . . . 0.0 111.755 173.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -119.52 -25.87 5.9 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 113.911 -1.495 . . . . 0.0 109.288 172.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -88.98 -15.49 34.07 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-O 122.144 0.973 . . . . 0.0 111.301 178.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.706 ' CD1' HD22 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -92.11 -39.81 11.39 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 113.118 -1.856 . . . . 0.0 110.105 179.328 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.839 HD21 HD22 ' A' ' 12' ' ' LEU . 6.7 mt -102.36 -15.55 16.52 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 113.673 -1.603 . . . . 0.0 112.112 -172.243 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.78 -33.36 2.97 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 124.717 1.261 . . . . 0.0 110.199 -177.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 45.91 27.56 0.5 Allowed 'General case' 0 C--N 1.361 1.092 0 O-C-N 125.484 1.74 . . . . 0.0 113.593 -178.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -81.99 -176.73 6.28 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-N 112.541 -2.118 . . . . 0.0 109.523 -171.039 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -91.21 -54.74 3.81 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 113.371 -1.741 . . . . 0.0 109.208 -175.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 66.42 -94.72 0.04 OUTLIER 'General case' 0 C--N 1.357 0.923 0 O-C-N 125.878 1.986 . . . . 0.0 109.753 -174.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 46.88 56.16 7.02 Favored 'General case' 0 C--N 1.36 1.036 0 O-C-N 125.166 1.541 . . . . 0.0 112.387 176.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 CA--C 1.552 1.025 0 CA-C-N 112.905 -1.952 . . . . 0.0 111.098 178.488 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 . . . . . 0 CA--C 1.54 0.592 0 CA-C-O 121.197 0.523 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -167.07 20.28 0.03 OUTLIER 'General case' 0 C--N 1.354 0.776 0 CA-C-N 114.404 -1.271 . . . . 0.0 112.053 -175.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.56 -19.15 60.44 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 124.599 1.187 . . . . 0.0 112.273 -171.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -65.0 -29.06 69.95 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 112.679 -2.055 . . . . 0.0 111.492 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.453 ' HB1' HD11 ' A' ' 9' ' ' LEU . . . -83.87 -28.9 27.64 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 112.374 -2.194 . . . . 0.0 110.525 176.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.449 ' HA ' HG11 ' A' ' 19' ' ' VAL . 3.8 mm -62.78 -15.4 15.25 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.026 0 C-N-CA 118.98 -1.088 . . . . 0.0 111.949 -174.516 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -106.13 -27.21 11.23 Favored 'General case' 0 C--N 1.36 1.035 0 O-C-N 124.878 1.361 . . . . 0.0 111.812 176.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -21.83 42.75 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 124.661 1.225 . . . . 0.0 111.508 -178.225 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.831 ' HA ' HD12 ' A' ' 12' ' ' LEU . 19.7 mt -89.38 -30.92 18.02 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-N 113.221 -1.809 . . . . 0.0 109.44 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.81 -31.76 51.95 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 111.234 -2.712 . . . . 0.0 110.365 176.022 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.11 -22.96 57.89 Favored 'General case' 0 C--N 1.358 0.971 0 CA-C-N 113.501 -1.681 . . . . 0.0 111.817 -176.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.831 HD12 ' HA ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -56.38 -21.49 25.12 Favored 'General case' 0 CA--C 1.554 1.13 0 O-C-N 125.225 1.578 . . . . 0.0 111.136 169.331 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 122.43 3.71 9.35 Favored Glycine 0 C--N 1.357 1.724 0 O-C-N 124.752 1.283 . . . . 0.0 112.828 175.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.601 ' HB3' HD11 ' A' ' 18' ' ' LEU . 99.4 m-85 -97.78 162.69 21.48 Favored Pre-proline 0 C--O 1.261 1.686 0 CA-C-N 114.215 -0.993 . . . . 0.0 110.809 -174.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -81.22 140.99 12.61 Favored 'Trans proline' 0 CA--C 1.543 0.948 0 C-N-CA 125.141 3.894 . . . . 0.0 112.287 173.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -51.7 -18.62 1.26 Allowed 'General case' 0 CA--C 1.556 1.185 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -41.99 80.47 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 114.571 -1.195 . . . . 0.0 112.135 -176.081 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.797 HD12 ' N ' ' A' ' 19' ' ' VAL . 0.3 OUTLIER -76.23 -25.8 55.43 Favored 'General case' 0 C--N 1.358 0.972 0 O-C-N 124.598 1.186 . . . . 0.0 110.727 175.819 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.797 ' N ' HD12 ' A' ' 18' ' ' LEU . 5.9 t -65.19 -49.91 76.65 Favored 'Isoleucine or valine' 0 C--N 1.35 0.622 0 O-C-N 125.799 1.937 . . . . 0.0 109.13 -168.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -51.3 -54.92 9.55 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 CA-C-N 111.787 -2.461 . . . . 0.0 110.459 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -86.25 2.27 47.75 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 125.29 1.619 . . . . 0.0 112.549 -173.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -107.47 -13.91 14.97 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 124.416 1.072 . . . . 0.0 112.055 176.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.784 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -96.43 -48.33 5.61 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 124.955 1.409 . . . . 0.0 108.212 173.634 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -66.63 -38.75 87.58 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 126.308 2.255 . . . . 0.0 110.961 -176.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.21 -25.24 61.58 Favored 'General case' 0 C--N 1.359 0.979 0 O-C-N 124.58 1.175 . . . . 0.0 111.301 176.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.839 ' SG ' HD22 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -89.92 1.97 55.61 Favored 'General case' 0 C--N 1.352 0.717 0 O-C-N 125.015 1.447 . . . . 0.0 112.754 176.719 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 67.37 70.49 0.36 Allowed 'General case' 0 C--N 1.36 1.022 0 O-C-N 124.698 1.249 . . . . 0.0 110.907 -175.273 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 36.85 32.68 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.162 0 O-C-N 125.228 1.58 . . . . 0.0 113.526 177.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.516 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.7 OUTLIER -92.52 151.07 20.38 Favored 'General case' 0 C--O 1.215 -0.747 0 CA-C-N 114.612 -1.176 . . . . 0.0 108.118 -170.169 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.01 -51.25 4.52 Favored 'General case' 0 C--O 1.22 -0.466 0 O-C-N 125.417 1.698 . . . . 0.0 110.667 -174.011 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -68.53 -48.03 65.38 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 112.563 -2.108 . . . . 0.0 110.585 -178.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.839 HD22 ' SG ' ' A' ' 26' ' ' CYS . 0.5 OUTLIER -66.11 -35.18 79.82 Favored 'General case' 0 C--N 1.355 0.846 0 O-C-N 125.375 1.672 . . . . 0.0 110.507 -178.681 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.643 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -66.55 -40.15 88.9 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-N 114.093 -1.412 . . . . 0.0 112.666 178.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.61 9.29 1.46 Allowed 'General case' 0 CA--C 1.544 0.742 0 O-C-N 125.121 1.513 . . . . 0.0 111.781 175.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -113.79 -31.31 6.48 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 113.962 -1.472 . . . . 0.0 109.591 172.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -84.19 -9.0 58.9 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-O 121.985 0.898 . . . . 0.0 111.449 176.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.763 HD13 HD22 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -102.47 -34.88 8.97 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 113.542 -1.663 . . . . 0.0 110.438 179.428 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.758 HD21 HD22 ' A' ' 12' ' ' LEU . 8.4 mt -112.8 -8.32 13.75 Favored 'General case' 0 C--N 1.354 0.787 0 O-C-N 125.309 1.631 . . . . 0.0 112.489 -169.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 m -122.71 -7.92 8.49 Favored 'General case' 0 C--N 1.356 0.874 0 O-C-N 124.852 1.345 . . . . 0.0 111.48 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.22 -25.0 54.65 Favored 'General case' 0 C--N 1.359 0.988 0 O-C-N 124.569 1.168 . . . . 0.0 111.972 176.217 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -46.44 -83.53 0.01 OUTLIER 'General case' 0 C--N 1.362 1.144 0 O-C-N 124.616 1.198 . . . . 0.0 111.445 -179.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -92.75 145.25 24.55 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 113.263 -1.79 . . . . 0.0 107.607 -179.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.94 135.86 57.73 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 112.929 -1.942 . . . . 0.0 109.757 178.416 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -162.85 -57.72 0.04 OUTLIER 'General case' 0 C--N 1.353 0.753 0 CA-C-N 113.165 -1.834 . . . . 0.0 109.094 -179.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 . . . . . 0 CA--C 1.552 1.032 0 CA-C-N 113.058 -1.883 . . . . 0.0 109.796 -175.474 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 . . . . . 0 CA--C 1.54 0.591 0 CA-C-O 122.178 0.989 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -74.75 -31.38 61.78 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 113.599 -1.637 . . . . 0.0 111.54 -176.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.17 -30.25 0.29 Allowed 'General case' 0 C--N 1.36 1.046 0 O-C-N 125.857 1.973 . . . . 0.0 114.574 -178.486 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -50.98 -59.11 4.5 Favored 'General case' 0 C--O 1.218 -0.577 0 CA-C-N 113.489 -1.687 . . . . 0.0 111.198 177.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.14 -25.54 61.76 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 112.494 -2.139 . . . . 0.0 110.918 177.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.412 ' HA ' ' CG1' ' A' ' 19' ' ' VAL . 11.6 mt -64.37 -8.16 4.51 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.124 0 C-N-CA 118.506 -1.278 . . . . 0.0 111.7 -177.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.12 -24.78 11.83 Favored 'General case' 0 C--N 1.357 0.911 0 O-C-N 123.959 0.787 . . . . 0.0 111.664 173.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.69 -19.8 37.38 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 124.591 1.182 . . . . 0.0 111.892 -178.499 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.916 ' HA ' HD12 ' A' ' 12' ' ' LEU . 15.6 mt -93.29 -28.82 15.99 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 113.021 -1.899 . . . . 0.0 108.627 -179.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.64 -32.32 41.64 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 111.959 -2.382 . . . . 0.0 110.063 176.132 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.91 -18.32 56.25 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 113.251 -1.795 . . . . 0.0 111.941 -177.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.916 HD12 ' HA ' ' A' ' 9' ' ' LEU . 1.9 mt -56.66 -21.23 25.96 Favored 'General case' 0 CA--C 1.551 0.988 0 O-C-N 124.854 1.347 . . . . 0.0 110.922 167.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 127.14 -0.59 7.1 Favored Glycine 0 C--N 1.358 1.791 0 O-C-N 125.153 1.533 . . . . 0.0 112.448 175.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.468 ' HB3' HD11 ' A' ' 18' ' ' LEU . 12.4 m-30 -102.14 162.06 21.48 Favored Pre-proline 0 C--O 1.251 1.132 0 CA-C-N 113.774 -1.213 . . . . 0.0 110.314 -165.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.563 ' O ' HG23 ' A' ' 19' ' ' VAL . 72.5 Cg_endo -79.54 149.78 21.48 Favored 'Trans proline' 0 CA--C 1.538 0.68 0 C-N-CA 124.202 3.268 . . . . 0.0 113.426 176.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.11 -19.53 33.06 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 124.606 1.191 . . . . 0.0 113.57 -178.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 t -76.81 -39.3 51.87 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 113.956 -1.474 . . . . 0.0 111.606 -173.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.579 HD13 HD23 ' A' ' 37' ' ' LEU . 1.1 pp -80.99 -22.01 39.83 Favored 'General case' 0 C--N 1.36 1.061 0 O-C-N 124.653 1.221 . . . . 0.0 111.216 176.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 15' ' ' PRO . 18.7 t -66.32 -52.19 50.09 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 O-C-N 125.659 1.849 . . . . 0.0 110.428 -176.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.51 HD13 ' CE1' ' A' ' 24' ' ' PHE . 0.4 OUTLIER -53.71 -56.42 8.98 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 CA-C-N 112.323 -2.217 . . . . 0.0 110.676 -178.329 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -73.73 -17.08 61.16 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 113.922 -1.49 . . . . 0.0 111.956 -177.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.46 -29.82 37.48 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 124.274 0.984 . . . . 0.0 112.193 177.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.701 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -77.88 -48.0 17.42 Favored 'General case' 0 C--N 1.35 0.589 0 C-N-CA 119.029 -1.068 . . . . 0.0 108.933 179.626 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.51 ' CE1' HD13 ' A' ' 20' ' ' ILE . 2.8 m-85 -64.58 -38.22 90.26 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 111.521 -2.581 . . . . 0.0 111.031 -176.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.32 -29.65 65.27 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.373 176.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.679 ' SG ' HD13 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -93.1 16.56 12.61 Favored 'General case' 0 C--N 1.353 0.718 0 O-C-N 124.887 1.367 . . . . 0.0 112.226 177.299 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 58.7 73.38 0.48 Allowed 'General case' 0 C--N 1.357 0.897 0 CA-C-O 122.103 0.954 . . . . 0.0 110.548 -177.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 30.68 42.43 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.1 0 CA-C-N 112.144 -2.298 . . . . 0.0 115.324 174.293 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -111.16 146.95 35.96 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-N 114.725 -1.125 . . . . 0.0 108.697 -167.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.61 -49.58 7.43 Favored 'General case' 0 C--O 1.22 -0.467 0 O-C-N 125.217 1.573 . . . . 0.0 110.49 -172.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.47 -45.79 68.18 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 112.409 -2.178 . . . . 0.0 110.998 179.279 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.679 HD13 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -67.84 -36.55 80.54 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 125.391 1.682 . . . . 0.0 109.923 -176.539 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.719 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -66.01 -39.98 90.71 Favored 'General case' 0 C--N 1.357 0.928 0 O-C-N 124.483 1.114 . . . . 0.0 112.245 178.526 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.81 10.27 0.92 Allowed 'General case' 0 CA--C 1.552 1.049 0 O-C-N 124.669 1.23 . . . . 0.0 112.398 174.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -116.58 -29.42 6.13 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 113.982 -1.463 . . . . 0.0 109.95 172.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.512 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 29.0 t80 -86.79 -12.31 48.43 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.734 178.038 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.719 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.4 mt -95.11 -47.95 6.16 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 113.247 -1.797 . . . . 0.0 108.966 179.423 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.534 HD21 HD22 ' A' ' 12' ' ' LEU . 7.4 mt -95.08 -16.88 22.32 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 113.439 -1.71 . . . . 0.0 112.551 -172.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.87 16.53 9.38 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 125.043 1.464 . . . . 0.0 110.913 178.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -43.44 145.01 0.64 Allowed 'General case' 0 C--N 1.362 1.126 0 O-C-N 125.227 1.58 . . . . 0.0 111.93 175.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.89 178.49 5.27 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 113.814 -1.539 . . . . 0.0 109.806 178.178 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -165.5 -55.51 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 113.032 -1.894 . . . . 0.0 109.894 -175.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -129.8 99.41 5.11 Favored 'General case' 0 C--N 1.352 0.695 0 O-C-N 124.88 1.363 . . . . 0.0 107.57 -177.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -98.8 -18.55 17.89 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 112.906 -1.952 . . . . 0.0 111.273 176.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 . . . . . 0 C--N 1.357 0.908 0 O-C-N 124.912 1.382 . . . . 0.0 108.104 -177.417 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 . . . . . 0 CA--C 1.541 0.622 0 CA-C-O 121.723 0.773 . . . . 0.0 112.034 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.424 ' HG2' ' CD ' ' A' ' 28' ' ' LYS . 3.7 mp0 -84.53 -27.19 27.53 Favored 'General case' 0 C--N 1.348 0.534 0 CA-C-N 113.227 -1.806 . . . . 0.0 111.629 -172.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.16 -28.51 0.02 OUTLIER 'General case' 0 C--N 1.362 1.142 0 O-C-N 126.274 2.233 . . . . 0.0 114.337 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -59.67 -56.39 22.44 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 113.408 -1.724 . . . . 0.0 112.159 177.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.83 -20.47 63.43 Favored 'General case' 0 C--N 1.35 0.588 0 C-N-CA 117.939 -1.504 . . . . 0.0 110.825 173.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.433 ' HA ' HG11 ' A' ' 19' ' ' VAL . 10.2 mt -70.81 -9.77 13.12 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 C-N-CA 118.517 -1.273 . . . . 0.0 111.737 -173.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -98.7 -27.94 13.75 Favored 'General case' 0 C--N 1.357 0.909 0 O-C-N 123.978 0.799 . . . . 0.0 111.398 174.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.56 -41.0 22.24 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 124.841 1.338 . . . . 0.0 110.928 -174.093 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.755 HD11 ' CD1' ' A' ' 23' ' ' TYR . 34.0 mt -60.13 -33.12 71.7 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 111.549 -2.569 . . . . 0.0 110.736 171.002 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.3 -31.67 29.87 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 112.007 -2.36 . . . . 0.0 110.531 177.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.28 -17.7 59.33 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 114.02 -1.446 . . . . 0.0 111.38 -176.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.724 HD22 HD21 ' A' ' 38' ' ' LEU . 0.6 OUTLIER -60.29 -19.74 56.29 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 113.692 -1.594 . . . . 0.0 111.15 169.762 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 125.42 6.24 6.27 Favored Glycine 0 CA--C 1.542 1.751 0 O-C-N 124.851 1.344 . . . . 0.0 112.543 174.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.959 ' HB3' HD11 ' A' ' 18' ' ' LEU . 54.4 m-85 -104.39 163.43 17.28 Favored Pre-proline 0 C--O 1.249 1.048 0 CA-C-N 114.649 -0.775 . . . . 0.0 108.925 -170.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.615 ' O ' HG23 ' A' ' 19' ' ' VAL . 88.9 Cg_endo -87.61 154.96 7.65 Favored 'Trans proline' 0 CA--C 1.545 1.052 1 C-N-CA 125.497 4.132 . . . . 0.0 112.534 171.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -57.96 -11.25 2.26 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.45 -45.5 22.01 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 124.076 0.86 . . . . 0.0 111.941 -173.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.959 HD11 ' HB3' ' A' ' 14' ' ' PHE . 3.7 pp -81.66 -23.19 37.05 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-N 114.266 -1.334 . . . . 0.0 110.398 177.339 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 15' ' ' PRO . 40.8 t -60.99 -53.42 49.38 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 O-C-N 125.282 1.614 . . . . 0.0 110.554 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.472 HD13 ' CE1' ' A' ' 24' ' ' PHE . 0.4 OUTLIER -52.44 -55.75 9.6 Favored 'Isoleucine or valine' 0 C--N 1.352 0.712 0 O-C-N 125.862 1.976 . . . . 0.0 110.527 -178.419 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.06 -14.88 59.76 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 113.022 -1.899 . . . . 0.0 111.441 -173.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.97 -25.28 27.87 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 124.353 1.033 . . . . 0.0 112.017 178.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.755 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -82.52 -50.38 8.89 Favored 'General case' 0 C--N 1.349 0.578 0 O-C-N 124.41 1.069 . . . . 0.0 108.344 178.224 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.472 ' CE1' HD13 ' A' ' 20' ' ' ILE . 4.6 m-85 -63.05 -38.67 92.1 Favored 'General case' 0 CA--C 1.55 0.979 0 CA-C-N 111.923 -2.399 . . . . 0.0 111.371 -177.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.69 -28.74 64.99 Favored 'General case' 0 C--N 1.358 0.97 0 O-C-N 124.104 0.878 . . . . 0.0 111.431 176.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.554 ' SG ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -93.5 9.74 35.35 Favored 'General case' 0 C--N 1.353 0.723 0 O-C-N 124.775 1.297 . . . . 0.0 112.29 178.723 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 63.87 72.28 0.47 Allowed 'General case' 0 C--N 1.361 1.107 0 O-C-N 124.315 1.009 . . . . 0.0 110.183 -176.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.424 ' CD ' ' HG2' ' A' ' 2' ' ' GLU . 0.0 OUTLIER 32.46 38.38 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 112.691 -2.05 . . . . 0.0 114.799 176.373 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.446 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.7 OUTLIER -100.77 147.23 26.28 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-N 113.96 -1.473 . . . . 0.0 108.552 -168.906 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.56 -52.02 5.38 Favored 'General case' 0 C--O 1.219 -0.505 0 O-C-N 125.447 1.717 . . . . 0.0 109.738 -173.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -68.12 -45.81 72.62 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 112.963 -1.926 . . . . 0.0 110.961 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.554 HD12 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -68.57 -32.99 73.3 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 125.203 1.564 . . . . 0.0 110.568 -176.521 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.669 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -69.33 -37.7 77.84 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 114.418 -1.265 . . . . 0.0 111.85 177.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.74 10.85 1.22 Allowed 'General case' 0 CA--C 1.549 0.929 0 O-C-N 124.803 1.315 . . . . 0.0 112.058 174.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -118.9 -27.98 5.66 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 114.258 -1.337 . . . . 0.0 109.468 173.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -84.0 -17.43 40.51 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 119.504 -0.878 . . . . 0.0 111.019 175.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.674 ' CD1' HD22 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -92.5 -40.91 10.56 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 113.56 -1.655 . . . . 0.0 110.243 179.288 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.724 HD21 HD22 ' A' ' 12' ' ' LEU . 7.5 mt -107.55 -10.17 15.75 Favored 'General case' 0 C--N 1.352 0.694 0 O-C-N 125.097 1.498 . . . . 0.0 112.31 -170.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.49 7.19 6.33 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 124.905 1.378 . . . . 0.0 110.153 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -40.91 134.4 1.94 Allowed 'General case' 0 C--N 1.363 1.166 0 O-C-N 124.77 1.294 . . . . 0.0 111.027 177.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -60.7 175.03 0.51 Allowed 'General case' 0 CA--C 1.55 0.966 0 O-C-N 124.534 1.146 . . . . 0.0 111.071 -176.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -95.74 106.18 18.26 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-N 114.063 -1.426 . . . . 0.0 109.171 -175.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 p30 169.64 70.84 0.0 OUTLIER 'General case' 0 C--N 1.358 0.969 0 O-C-N 125.654 1.846 . . . . 0.0 110.252 -176.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -151.06 176.59 11.0 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 114.541 -1.208 . . . . 0.0 109.727 176.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.544 0.728 0 CA-C-N 112.415 -2.175 . . . . 0.0 110.709 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.535 0.393 0 CA-C-O 122.166 0.984 . . . . 0.0 110.004 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.04 -28.78 14.47 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-N 113.599 -1.637 . . . . 0.0 111.47 -176.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -35.25 -29.15 0.01 OUTLIER 'General case' 0 C--N 1.354 0.784 0 N-CA-C 115.65 1.722 . . . . 0.0 115.65 -178.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -56.8 -60.47 3.51 Favored 'General case' 0 C--N 1.345 0.38 0 O-C-N 124.914 1.384 . . . . 0.0 110.644 178.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.69 -26.88 64.58 Favored 'General case' 0 C--O 1.211 -0.922 0 CA-C-N 113.644 -1.616 . . . . 0.0 110.162 178.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 16.1 mt -58.16 -43.27 85.23 Favored 'Isoleucine or valine' 0 C--N 1.354 0.797 0 C-N-CA 118.927 -1.109 . . . . 0.0 111.293 -176.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -76.01 -25.97 56.22 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 119.129 -1.028 . . . . 0.0 111.676 178.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.7 -21.89 40.84 Favored 'General case' 0 C--N 1.346 0.436 0 CA-C-N 114.388 -1.278 . . . . 0.0 111.442 -176.368 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.768 ' HA ' HD12 ' A' ' 12' ' ' LEU . 15.4 mt -88.55 -31.53 18.61 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 113.214 -1.812 . . . . 0.0 107.753 178.169 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -34.67 65.66 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 112.836 -1.984 . . . . 0.0 109.814 176.053 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.04 -22.41 61.39 Favored 'General case' 0 C--N 1.348 0.534 0 CA-C-N 113.931 -1.486 . . . . 0.0 112.029 -174.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.768 HD12 ' HA ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -56.21 -24.44 42.1 Favored 'General case' 0 CA--C 1.554 1.116 0 O-C-N 124.832 1.332 . . . . 0.0 111.361 169.386 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 131.54 -0.91 5.16 Favored Glycine 0 CA--C 1.542 1.735 0 O-C-N 124.744 1.277 . . . . 0.0 113.048 175.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.581 ' HB3' HD11 ' A' ' 18' ' ' LEU . 61.8 m-85 -95.14 164.01 20.36 Favored Pre-proline 0 C--N 1.348 0.514 0 O-C-N 124.127 0.545 . . . . 0.0 110.422 -174.271 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.596 ' O ' HG23 ' A' ' 19' ' ' VAL . 96.5 Cg_endo -82.47 149.51 14.77 Favored 'Trans proline' 0 C--N 1.358 1.071 0 C-N-CA 123.525 2.817 . . . . 0.0 112.472 170.261 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -57.49 -16.79 10.67 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 124.603 1.19 . . . . 0.0 113.051 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.42 -41.01 49.13 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.832 -175.156 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.581 HD11 ' HB3' ' A' ' 14' ' ' PHE . 1.5 pp -82.96 -20.34 35.43 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 124.28 0.988 . . . . 0.0 111.044 176.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 15' ' ' PRO . 24.6 t -68.51 -51.51 45.93 Favored 'Isoleucine or valine' 0 C--N 1.346 0.454 0 CA-C-N 113.708 -1.587 . . . . 0.0 109.283 -177.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.449 HD13 ' CE1' ' A' ' 24' ' ' PHE . 0.4 OUTLIER -53.74 -54.29 20.52 Favored 'Isoleucine or valine' 0 C--N 1.348 0.537 0 CA-C-N 113.094 -1.867 . . . . 0.0 110.973 -177.895 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -72.53 -18.04 61.68 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 113.085 -1.871 . . . . 0.0 110.848 -176.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.93 -51.92 14.55 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 117.967 -1.493 . . . . 0.0 111.194 177.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.746 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -61.26 -49.49 76.85 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.803 -178.317 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.449 ' CE1' HD13 ' A' ' 20' ' ' ILE . 2.9 m-85 -62.52 -39.66 94.28 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 112.615 -2.084 . . . . 0.0 110.937 -177.117 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.79 -30.25 66.67 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.722 175.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.509 ' SG ' HD12 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -90.35 9.71 27.82 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 124.537 1.148 . . . . 0.0 112.105 179.032 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 61.41 77.91 0.31 Allowed 'General case' 0 C--N 1.357 0.902 0 O-C-N 124.384 1.053 . . . . 0.0 109.945 -174.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 27.83 47.11 0.02 OUTLIER 'General case' 0 CA--C 1.56 1.345 0 CA-C-N 112.617 -2.083 . . . . 0.0 114.788 176.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.425 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.7 OUTLIER -111.95 144.26 41.59 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-N 114.542 -1.208 . . . . 0.0 108.834 -167.542 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.93 -51.47 6.69 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 125.574 1.796 . . . . 0.0 110.492 -175.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -68.77 -45.56 71.06 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 125.543 1.777 . . . . 0.0 110.717 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.509 HD12 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -68.98 -32.09 71.41 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 124.897 1.373 . . . . 0.0 110.59 -177.037 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.709 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -68.93 -36.95 78.57 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 114.639 -1.164 . . . . 0.0 111.714 176.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.44 12.54 0.96 Allowed 'General case' 0 CA--C 1.549 0.925 0 O-C-N 124.542 1.151 . . . . 0.0 112.2 172.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -118.7 -26.7 6.04 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 114.452 -1.249 . . . . 0.0 109.582 173.32 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -88.75 -15.44 34.71 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.839 175.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.725 HD13 HD22 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -93.96 -35.77 12.49 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 114.219 -1.355 . . . . 0.0 109.7 178.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.575 HD21 HD22 ' A' ' 12' ' ' LEU . 4.3 mt -111.14 -7.64 14.46 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 124.86 1.35 . . . . 0.0 111.181 -170.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.45 12.61 3.0 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 124.874 1.359 . . . . 0.0 110.807 -177.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.85 100.53 0.02 OUTLIER 'General case' 0 C--N 1.362 1.128 0 O-C-N 125.074 1.484 . . . . 0.0 111.973 -179.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -128.69 -169.17 2.03 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-N 113.29 -1.777 . . . . 0.0 108.177 -174.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -151.57 49.42 0.81 Allowed 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 111.971 -2.377 . . . . 0.0 108.93 -171.731 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -151.39 74.83 1.15 Allowed 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 113.176 -1.829 . . . . 0.0 108.389 178.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 39.4 p-10 -159.91 -179.61 7.96 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 112.53 -2.123 . . . . 0.0 109.418 179.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 . . . . . 0 CA--C 1.548 0.882 0 CA-C-N 113.13 -1.85 . . . . 0.0 109.491 -178.987 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 . . . . . 0 CA--C 1.539 0.545 0 CA-C-O 121.885 0.85 . . . . 0.0 111.298 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -105.07 -17.09 14.61 Favored 'General case' 0 C--N 1.347 0.47 0 CA-C-N 113.068 -1.878 . . . . 0.0 111.867 -174.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -17.44 12.48 Favored 'General case' 0 C--N 1.354 0.79 0 O-C-N 125.604 1.815 . . . . 0.0 113.696 178.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.21 -39.39 90.05 Favored 'General case' 0 C--N 1.352 0.707 0 O-C-N 124.851 1.344 . . . . 0.0 110.975 176.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.404 ' CB ' ' CZ ' ' A' ' 23' ' ' TYR . . . -87.89 -27.37 22.23 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 113.073 -1.876 . . . . 0.0 110.714 178.119 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 mm -65.9 -11.54 12.68 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.187 0 C-N-CA 119.021 -1.072 . . . . 0.0 111.477 -173.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -105.51 -27.59 11.32 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 114.623 -1.171 . . . . 0.0 111.255 176.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.95 -21.14 40.64 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 124.617 1.198 . . . . 0.0 111.526 -179.099 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.895 ' HA ' HD12 ' A' ' 12' ' ' LEU . 16.8 mt -89.41 -29.15 19.27 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 113.326 -1.761 . . . . 0.0 108.726 179.194 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.47 -33.84 41.94 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 111.968 -2.378 . . . . 0.0 110.254 177.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.34 -21.17 56.47 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 113.028 -1.897 . . . . 0.0 111.665 -176.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.895 HD12 ' HA ' ' A' ' 9' ' ' LEU . 2.5 mt -57.02 -21.89 34.42 Favored 'General case' 0 CA--C 1.555 1.158 0 O-C-N 125.075 1.484 . . . . 0.0 110.908 169.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.49 -3.91 6.64 Favored Glycine 0 CA--C 1.544 1.857 0 O-C-N 124.659 1.224 . . . . 0.0 113.124 175.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.591 ' HB3' HD11 ' A' ' 18' ' ' LEU . 94.5 m-85 -95.27 160.99 29.51 Favored Pre-proline 0 C--O 1.215 -0.752 0 CA-C-N 114.383 -0.908 . . . . 0.0 109.536 -172.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.639 ' O ' HG23 ' A' ' 19' ' ' VAL . 72.5 Cg_endo -78.24 151.38 26.52 Favored 'Trans proline' 0 C--N 1.369 1.636 0 C-N-CA 123.151 2.567 . . . . 0.0 113.19 173.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.09 -21.54 46.51 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 124.509 1.131 . . . . 0.0 113.429 -178.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -76.2 -38.64 56.25 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 113.312 -1.767 . . . . 0.0 111.575 -172.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.591 HD11 ' HB3' ' A' ' 14' ' ' PHE . 1.2 pp -82.28 -21.23 36.27 Favored 'General case' 0 C--N 1.357 0.921 0 O-C-N 124.68 1.237 . . . . 0.0 110.986 176.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 15' ' ' PRO . 37.9 t -65.73 -52.07 54.54 Favored 'Isoleucine or valine' 0 C--N 1.348 0.535 0 O-C-N 125.622 1.827 . . . . 0.0 110.111 -177.068 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -51.67 -53.36 17.07 Favored 'Isoleucine or valine' 0 C--N 1.348 0.538 0 O-C-N 125.967 2.042 . . . . 0.0 110.656 -177.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.59 -14.65 58.02 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-N 112.619 -2.082 . . . . 0.0 111.458 -173.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.45 -24.12 29.64 Favored 'General case' 0 C--N 1.351 0.643 0 O-C-N 124.45 1.094 . . . . 0.0 111.703 176.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.733 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -83.11 -51.51 7.46 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 124.629 1.206 . . . . 0.0 108.487 178.789 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -65.58 -34.44 78.24 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 112.313 -2.221 . . . . 0.0 111.956 -178.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.72 -28.94 65.1 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 124.177 0.923 . . . . 0.0 111.199 173.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.658 ' SG ' HD23 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -88.95 -1.47 58.12 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 124.714 1.259 . . . . 0.0 112.192 176.042 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 61.57 66.49 0.85 Allowed 'General case' 0 C--N 1.357 0.899 0 O-C-N 124.373 1.045 . . . . 0.0 111.308 -174.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HA ' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER 31.12 42.46 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 113.3 -1.773 . . . . 0.0 114.015 175.092 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.554 HD22 HD22 ' A' ' 32' ' ' LEU . 1.2 m-20 -86.89 -17.96 32.01 Favored 'General case' 0 C--N 1.348 0.515 0 CA-C-N 113.326 -1.761 . . . . 0.0 111.159 -164.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . 0.298 0.5 OUTLIER 84.64 -73.24 0.03 OUTLIER 'General case' 0 C--N 1.346 0.423 0 O-C-N 125.52 1.763 . . . . 0.0 111.075 172.516 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -62.83 -45.02 94.55 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 125.981 2.051 . . . . 0.0 111.241 176.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.658 HD23 ' SG ' ' A' ' 26' ' ' CYS . 2.2 tp -66.44 -30.33 70.66 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 125.145 1.528 . . . . 0.0 111.328 -178.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.713 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -71.57 -37.78 71.02 Favored 'General case' 0 C--N 1.349 0.58 0 CA-C-N 113.272 -1.785 . . . . 0.0 111.554 179.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.3 11.74 1.44 Allowed 'General case' 0 CA--C 1.548 0.898 0 O-C-N 124.811 1.32 . . . . 0.0 111.713 173.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -118.58 -24.94 6.58 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 114.299 -1.319 . . . . 0.0 109.709 173.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -87.7 -20.67 25.94 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 114.834 -1.076 . . . . 0.0 110.02 174.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.823 HD13 HD22 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -88.66 -39.49 13.99 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 114.468 -1.242 . . . . 0.0 110.263 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.423 HD21 HD22 ' A' ' 12' ' ' LEU . 5.4 mt -108.4 -6.85 16.02 Favored 'General case' 0 C--N 1.348 0.512 0 O-C-N 125.259 1.6 . . . . 0.0 111.651 -169.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -142.93 15.95 1.93 Allowed 'General case' 0 CA--C 1.54 0.593 0 O-C-N 124.773 1.296 . . . . 0.0 110.785 -177.257 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -33.04 88.81 0.0 OUTLIER 'General case' 0 C--N 1.365 1.251 0 O-C-N 125.822 1.951 . . . . 0.0 111.724 -177.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -83.22 -169.26 2.45 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 112.966 -1.925 . . . . 0.0 107.679 -174.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 67.31 157.22 0.12 Allowed 'General case' 0 C--N 1.349 0.574 0 O-C-N 125.021 1.451 . . . . 0.0 109.844 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -120.08 -60.27 1.71 Allowed 'General case' 0 C--N 1.349 0.584 0 CA-C-N 113.467 -1.697 . . . . 0.0 108.784 -178.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -140.42 -69.91 0.39 Allowed 'General case' 0 C--N 1.356 0.856 0 O-C-N 125.047 1.467 . . . . 0.0 109.629 -175.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.544 0.737 0 CA-C-N 113.308 -1.769 . . . . 0.0 110.118 -178.584 . . . . . . . . 1 1 . 1 stop_ save_