data_2mjk_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 2mjk _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 1' ' ' LEU . . . . . 0.505 ' HG ' ' HA ' ' A' ' 23' ' ' ALA . 40.4 tp . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 121.335 0.588 . . . . 0.0 110.109 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 61.3 t -94.11 136.09 26.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.718 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.488 ' HB2' ' HA ' ' A' ' 25' ' ' SER . 9.7 mp -116.61 140.01 49.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.774 179.121 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -59.04 -35.74 73.83 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.689 0.756 . . . . 0.0 109.109 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -161.49 155.47 22.17 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.588 -1.187 . . . . 0.0 109.689 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.0 t -72.07 123.1 88.99 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.668 ' HD2' ' SG ' ' A' ' 32' ' ' CYS . 34.1 Cg_exo -59.35 135.63 66.61 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.632 2.222 . . . . 0.0 112.02 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -49.34 -32.51 11.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.882 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.439 HG21 ' HB2' ' A' ' 7' ' ' PRO . 6.5 tp -59.63 -36.42 65.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.703 0.287 . . . . 0.0 111.039 -179.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.71 -156.65 30.97 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.865 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.421 ' CD1' ' HB2' ' A' ' 33' ' ' CYS . 1.9 p90 -155.35 146.6 22.74 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 178.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.436 ' C ' ' HG ' ' A' ' 13' ' ' SER . 41.9 t -93.65 134.56 35.83 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.174 0.511 . . . . 0.0 111.505 -177.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.436 ' HG ' ' C ' ' A' ' 12' ' ' CYS . 17.5 m -152.17 160.65 43.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.361 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.678 ' HA ' ' SD ' ' A' ' 30' ' ' MET . 18.8 p30 -55.22 -32.24 62.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.21 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 59.6 p -150.46 144.31 25.31 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.437 ' O ' ' NE1' ' A' ' 22' ' ' TRP . 62.8 m -111.7 143.89 41.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.562 -178.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.0 t -58.31 145.82 36.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.785 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -43.2 -45.64 5.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.689 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.7 t -58.0 -36.4 72.6 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.232 0.539 . . . . 0.0 109.916 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -77.52 139.23 39.55 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.009 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 74.4 mt -76.58 127.57 37.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.437 ' NE1' ' O ' ' A' ' 16' ' ' CYS . 14.7 m95 -75.02 56.76 0.78 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.228 0.537 . . . . 0.0 110.55 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.505 ' HA ' ' HG ' ' A' ' 1' ' ' LEU . . . -66.95 109.16 2.84 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.493 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.7 p -74.17 107.25 6.24 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.488 ' HA ' ' HB2' ' A' ' 3' ' ' LEU . 56.2 p -94.32 110.08 21.86 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.687 -179.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.525 ' C ' ' H ' ' A' ' 28' ' ' CYS . 20.9 t-160 -51.57 -40.56 59.98 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.135 0.493 . . . . 0.0 109.861 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.69 24.74 0.29 Allowed Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.679 -0.691 . . . . 0.0 113.057 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.525 ' H ' ' C ' ' A' ' 26' ' ' HIS . 42.1 t -154.84 151.62 28.84 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.333 0.587 . . . . 0.0 111.265 178.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.43 ' HG3' ' HG2' ' A' ' 30' ' ' MET . 15.2 ptpt -64.85 -47.27 78.54 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.823 -1.081 . . . . 0.0 111.346 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.678 ' SD ' ' HA ' ' A' ' 14' ' ' ASN . 4.2 mmt -102.17 -158.33 0.66 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.233 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -85.86 160.8 19.34 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-O 120.781 0.324 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.668 ' SG ' ' HD2' ' A' ' 7' ' ' PRO . 50.7 t -102.08 127.57 48.92 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 177.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.421 ' HB2' ' CD1' ' A' ' 11' ' ' TYR . 36.4 m -102.66 130.44 49.57 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.983 -179.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.53 HD13 ' CE2' ' A' ' 38' ' ' TRP . 10.0 mt -141.07 143.05 29.75 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.895 -179.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -55.77 144.67 75.56 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.269 1.979 . . . . 0.0 111.058 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.7 -27.4 11.62 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.255 0.55 . . . . 0.0 110.02 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.6 t -64.43 -29.19 70.25 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.065 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.53 ' CE2' HD13 ' A' ' 34' ' ' LEU . 42.7 t90 -54.29 140.97 31.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.166 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -97.58 127.35 43.47 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.59 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.524 ' CG ' ' N ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -73.61 -132.27 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.445 -179.208 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.524 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 63.1 mtpt . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.499 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 25.6 tp . . . . . 0 N--CA 1.483 1.183 0 CA-C-O 120.918 0.39 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.2 m -122.28 129.83 75.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.953 0.406 . . . . 0.0 110.821 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.458 HD13 ' CH2' ' A' ' 40' ' ' TRP . 5.1 mp -94.86 161.58 14.1 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.805 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.495 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 3.0 mppt? -76.67 -34.02 58.25 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 177.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -158.26 152.58 24.34 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.515 -1.22 . . . . 0.0 109.188 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.408 ' SG ' ' HB2' ' A' ' 12' ' ' CYS . 16.5 t -73.59 117.69 62.81 Favored Pre-proline 0 C--N 1.318 -0.792 0 CA-C-O 120.508 0.194 . . . . 0.0 110.545 -179.15 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.539 ' HD2' ' SG ' ' A' ' 32' ' ' CYS . 13.3 Cg_exo -68.53 134.75 31.56 Favored 'Trans proline' 0 C--O 1.236 0.386 0 C-N-CA 122.648 2.232 . . . . 0.0 111.72 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.483 ' HD2' ' N ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -57.6 -23.22 49.69 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.409 -179.433 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.483 ' N ' ' HD2' ' A' ' 8' ' ' LYS . 6.4 tp -60.24 -31.97 49.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.989 0.423 . . . . 0.0 110.324 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.431 ' C ' ' CD1' ' A' ' 11' ' ' TYR . . . -95.36 -146.66 21.27 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.966 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.431 ' CD1' ' C ' ' A' ' 10' ' ' GLY . 16.2 m-85 -154.2 131.84 11.42 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.408 ' HB2' ' SG ' ' A' ' 6' ' ' CYS . 48.5 t -96.55 126.63 41.87 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.192 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.7 p -152.62 164.98 36.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.916 0.388 . . . . 0.0 111.746 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.43 ' HA ' ' HB3' ' A' ' 30' ' ' MET . 4.7 p-10 -51.89 -31.82 29.91 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.76 -179.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 31.7 p -147.39 149.88 33.61 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.723 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 99.5 m -110.82 143.07 41.95 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.337 0.589 . . . . 0.0 112.278 -178.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.6 p -61.9 145.17 53.62 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.311 -0.858 . . . . 0.0 109.69 179.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm -46.8 -37.94 9.42 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.046 0.45 . . . . 0.0 110.666 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.7 m -64.59 -37.35 87.27 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.122 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -87.85 138.47 31.43 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.166 0.508 . . . . 0.0 112.029 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 66.1 mt -69.02 131.89 33.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.104 178.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 19.2 m95 -77.36 52.23 0.93 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.349 0.595 . . . . 0.0 109.951 178.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.72 119.88 13.18 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.757 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.0 m -84.1 108.52 17.07 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.412 ' HA ' ' HB2' ' A' ' 3' ' ' LEU . 30.7 p -87.01 129.18 34.99 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.734 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -75.49 42.28 0.21 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.402 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.412 ' H ' ' C ' ' A' ' 25' ' ' SER . . . -166.66 26.29 0.16 Allowed Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.301 -0.952 . . . . 0.0 113.241 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.6 t -146.43 145.48 30.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.258 0.552 . . . . 0.0 110.955 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.8 pttm -53.75 -48.52 69.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.189 -0.914 . . . . 0.0 112.726 -178.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.43 ' HB3' ' HA ' ' A' ' 14' ' ' ASN . 26.2 mmt -107.22 -150.85 0.45 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.758 -0.201 . . . . 0.0 111.306 -178.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -86.62 155.12 20.56 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.539 ' SG ' ' HD2' ' A' ' 7' ' ' PRO . 33.7 t -101.52 121.53 42.14 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 177.153 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.41 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 7.7 m -102.32 132.22 48.43 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.064 -178.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.511 HD13 ' CE2' ' A' ' 38' ' ' TRP . 17.7 mt -139.67 142.86 32.93 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.269 -179.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -49.75 140.66 29.45 Favored 'Trans proline' 0 N--CA 1.461 -0.426 0 C-N-CA 122.514 2.143 . . . . 0.0 111.565 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.92 -35.57 33.92 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.347 0.594 . . . . 0.0 109.747 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.5 t -65.34 -26.5 68.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.92 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.511 ' CE2' HD13 ' A' ' 34' ' ' LEU . 49.2 t90 -50.21 131.49 23.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.881 0.372 . . . . 0.0 110.169 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.501 ' NZ ' ' HB3' ' A' ' 39' ' ' LYS . 4.1 mmmp? -80.29 116.69 20.51 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.8 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.521 ' CG ' ' N ' ' A' ' 41' ' ' LYS . 0.7 OUTLIER -90.07 -133.62 0.11 Allowed 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 178.618 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.521 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 6.8 mtmp? . . . . . 0 C--O 1.246 0.909 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . 0.419 ' HG ' ' HA ' ' A' ' 23' ' ' ALA . 29.7 tp . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.948 0.404 . . . . 0.0 110.684 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.1 p -109.11 124.66 65.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.078 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.428 HD12 ' CH2' ' A' ' 40' ' ' TRP . 5.2 mp -96.98 139.21 33.34 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.855 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.413 ' HB2' ' CD1' ' A' ' 5' ' ' TYR . 0.8 OUTLIER -62.12 -34.86 77.14 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 177.258 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.413 ' CD1' ' HB2' ' A' ' 4' ' ' LYS . 9.0 p90 -156.16 140.33 16.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.522 -1.217 . . . . 0.0 110.821 -178.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.479 ' SG ' ' SG ' ' A' ' 12' ' ' CYS . 53.2 t -76.87 126.23 85.98 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.18 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -57.62 136.46 75.83 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 122.205 1.937 . . . . 0.0 110.969 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.54 ' NZ ' ' HA ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -49.94 -38.38 36.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.654 0.264 . . . . 0.0 111.068 -179.463 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.3 tt -60.15 -35.72 63.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.228 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.433 ' CA ' ' O ' ' A' ' 33' ' ' CYS . . . -71.08 177.5 35.34 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.692 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -138.13 130.31 28.82 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.479 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 74.7 m -95.27 120.79 36.11 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.108 0.48 . . . . 0.0 110.859 -179.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.1 t -152.8 172.46 16.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.468 -179.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.458 ' HA ' ' HB3' ' A' ' 30' ' ' MET . 19.0 t-20 -63.15 -27.75 69.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.034 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 55.4 p -144.95 142.77 30.12 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.961 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.4 m -110.89 144.25 40.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.244 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.2 t -52.96 143.74 16.45 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.437 ' HE3' ' HA ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -49.3 -39.21 30.19 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.04 0.448 . . . . 0.0 109.809 -179.755 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.6 t -78.27 31.63 0.18 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.807 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.433 ' HA ' ' O ' ' A' ' 34' ' ' LEU . 84.6 mt-30 -148.18 137.69 22.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.42 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 75.0 mt -72.74 124.29 29.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.604 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 12.8 m95 -78.2 55.16 1.47 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.103 0.477 . . . . 0.0 110.163 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.419 ' HA ' ' HG ' ' A' ' 1' ' ' LEU . . . -72.77 128.06 34.41 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.167 -179.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 51.8 m -83.98 109.35 17.56 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.946 0.403 . . . . 0.0 110.113 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.455 ' OG ' ' HB2' ' A' ' 6' ' ' CYS . 16.9 p -95.16 135.77 36.32 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.077 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -55.76 -43.01 76.28 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.835 0.35 . . . . 0.0 110.88 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -79.26 31.53 2.08 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.653 -0.784 . . . . 0.0 113.656 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.452 ' HB2' ' HG ' ' A' ' 25' ' ' SER . 80.0 m -154.42 140.53 18.43 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.974 0.416 . . . . 0.0 110.597 179.184 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.77 ' HB2' ' SD ' ' A' ' 30' ' ' MET . 62.1 mttt -63.83 -66.82 0.49 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.025 -179.177 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.77 ' SD ' ' HB2' ' A' ' 29' ' ' LYS . 2.9 mpp? -79.02 -128.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.493 -178.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.472 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 43.1 m-85 -105.06 158.02 16.84 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 120.683 0.278 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.45 ' HB2' ' OG ' ' A' ' 25' ' ' SER . 15.3 t -101.97 129.98 48.38 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 176.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.433 ' O ' ' CA ' ' A' ' 10' ' ' GLY . 28.3 m -101.69 131.73 47.78 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 -177.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.571 HD12 ' CE2' ' A' ' 38' ' ' TRP . 36.2 mt -145.61 140.28 15.65 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.41 -178.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -54.74 144.89 63.27 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.671 2.248 . . . . 0.0 111.755 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.57 -33.27 14.58 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.993 0.425 . . . . 0.0 111.2 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.4 t -64.07 -28.43 69.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.292 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.571 ' CE2' HD12 ' A' ' 34' ' ' LEU . 45.6 t90 -49.51 135.44 18.11 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.946 0.403 . . . . 0.0 111.324 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -84.8 123.51 30.52 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.126 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.549 ' CG ' ' N ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -83.9 -122.31 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.98 179.889 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.549 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 20.2 ptmt . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.79 -0.624 . . . . 0.0 110.113 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . 0.53 ' HG ' ' HA ' ' A' ' 23' ' ' ALA . 41.9 tp . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 121.345 0.593 . . . . 0.0 110.676 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 93.5 t -101.07 142.01 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.495 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 24' ' ' THR . 37.3 mt -128.12 157.4 40.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.08 -179.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -67.63 -39.97 84.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.836 0.826 . . . . 0.0 109.161 178.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.525 ' C ' ' HB2' ' A' ' 25' ' ' SER . 12.9 p90 -162.26 160.32 26.71 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.385 -1.279 . . . . 0.0 109.12 -178.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 33.5 t -71.13 115.06 32.76 Favored Pre-proline 0 C--N 1.32 -0.675 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.541 ' HD2' ' SG ' ' A' ' 32' ' ' CYS . 50.2 Cg_exo -53.77 133.22 53.31 Favored 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 122.326 2.017 . . . . 0.0 111.547 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -43.05 -41.91 3.68 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.1 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.7 tt -61.79 -40.74 88.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.053 0.454 . . . . 0.0 110.723 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -77.89 143.34 27.6 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.827 -0.624 . . . . 0.0 113.416 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.471 ' CD1' ' N ' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -107.18 132.31 53.18 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.21 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 16.9 t -94.42 136.0 35.22 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.023 -177.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.6 m -153.47 171.0 19.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.916 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.408 ' HA ' ' HB3' ' A' ' 30' ' ' MET . 16.1 p30 -57.79 -32.33 67.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.31 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.462 ' HB ' ' CH2' ' A' ' 22' ' ' TRP . 40.4 p -151.89 150.16 29.76 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.09 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.553 ' HB2' ' CD1' ' A' ' 22' ' ' TRP . 56.3 m -109.6 136.47 48.92 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.205 0.526 . . . . 0.0 112.07 -177.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.0 m -60.13 145.72 45.82 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.356 178.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.49 ' C ' ' H ' ' A' ' 20' ' ' GLN . 27.2 mtpp -43.53 -41.28 4.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.106 0.479 . . . . 0.0 110.723 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.8 t -74.49 28.56 0.08 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.048 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.49 ' H ' ' C ' ' A' ' 18' ' ' LYS . 25.1 mt-30 -153.95 135.57 14.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.038 0.447 . . . . 0.0 110.221 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 80.9 mt -72.89 126.02 32.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.442 -179.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.553 ' CD1' ' HB2' ' A' ' 16' ' ' CYS . 17.0 m95 -77.09 59.76 1.76 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.096 0.474 . . . . 0.0 109.752 178.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.53 ' HA ' ' HG ' ' A' ' 1' ' ' LEU . . . -73.04 127.09 31.56 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -178.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 3' ' ' LEU . 89.8 m -85.57 131.74 34.3 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.525 ' HB2' ' C ' ' A' ' 5' ' ' TYR . 62.6 p -130.9 135.9 48.11 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -178.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -75.74 55.14 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.333 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -156.02 -33.69 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.588 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.0 t -113.05 144.25 42.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.905 0.384 . . . . 0.0 111.314 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.4 pttp -52.93 -64.29 0.87 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.471 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.408 ' HB3' ' HA ' ' A' ' 14' ' ' ASN . 22.1 mmt -78.45 -148.61 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.483 -178.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -89.17 153.19 21.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.601 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.541 ' SG ' ' HD2' ' A' ' 7' ' ' PRO . 50.1 t -100.81 121.72 42.18 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 176.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.4 m -102.48 131.43 49.18 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.153 0.502 . . . . 0.0 110.67 -177.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.5 mt -125.12 142.08 40.34 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.232 -179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -56.86 143.28 91.78 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 122.381 2.054 . . . . 0.0 111.162 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.25 -34.0 14.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.848 0.356 . . . . 0.0 111.174 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.2 m -64.67 -28.51 69.66 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.295 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 51.0 t90 -53.58 129.19 31.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.392 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -86.01 119.4 26.27 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.901 0.381 . . . . 0.0 110.286 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.531 ' CG ' ' N ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER -86.17 -124.21 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.2 -179.878 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.531 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 14.8 ptmm? . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.847 -0.597 . . . . 0.0 109.739 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . 0.451 HD11 ' CE2' ' A' ' 40' ' ' TRP . 46.4 tp . . . . . 0 N--CA 1.482 1.157 0 CA-C-O 120.92 0.391 . . . . 0.0 110.668 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.7 m -96.56 128.87 47.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.133 0.492 . . . . 0.0 111.819 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 mp -97.77 139.52 33.53 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.193 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -59.79 -35.54 74.87 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 177.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 49.4 p90 -164.96 151.38 10.38 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 113.644 -1.616 . . . . 0.0 108.844 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.0 t -73.05 116.23 48.52 Favored Pre-proline 0 C--N 1.314 -0.947 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.344 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.76 147.23 89.32 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.298 1.999 . . . . 0.0 110.312 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -44.73 -46.18 10.27 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.65 0.262 . . . . 0.0 111.355 -178.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.0 tt -63.03 -33.41 60.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.029 0.442 . . . . 0.0 110.568 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.451 ' HA2' ' HG ' ' A' ' 34' ' ' LEU . . . -63.28 121.89 25.58 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.242 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -88.14 130.46 35.03 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.672 ' SG ' ' N ' ' A' ' 29' ' ' LYS . 42.4 t -96.46 112.06 23.94 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 178.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.425 ' C ' ' HB2' ' A' ' 30' ' ' MET . 49.7 m -151.73 157.59 42.23 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.941 0.401 . . . . 0.0 111.549 -178.194 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -54.79 -29.82 55.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.158 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.4 p -151.84 146.79 25.94 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.491 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.2 m -120.61 152.52 38.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.084 0.468 . . . . 0.0 111.952 -178.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.0 p -58.01 140.58 52.07 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.253 177.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.495 ' NZ ' ' HB3' ' A' ' 18' ' ' LYS . 7.5 mtpm? -47.72 -32.88 6.29 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.857 0.36 . . . . 0.0 111.02 -178.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.5 p -61.74 -40.23 94.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.365 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -85.26 131.29 34.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.934 0.397 . . . . 0.0 111.255 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.47 ' O ' ' HA ' ' A' ' 33' ' ' CYS . 76.2 mt -66.24 123.64 19.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.348 -179.421 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.738 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 11.1 m0 -73.27 69.58 1.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 178.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.47 133.46 34.9 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.42 0.629 . . . . 0.0 112.454 -178.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.4 p -76.4 136.32 39.47 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.408 ' OG ' ' HB2' ' A' ' 32' ' ' CYS . 3.5 p -129.49 138.97 51.69 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.69 0.281 . . . . 0.0 111.285 -179.146 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -77.98 43.59 0.44 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.037 179.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.401 ' H ' ' C ' ' A' ' 25' ' ' SER . . . 171.4 50.58 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.75 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.473 ' SG ' ' O ' ' A' ' 30' ' ' MET . 5.2 t -137.66 134.53 35.56 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.923 0.392 . . . . 0.0 110.309 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.672 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 53.8 mttp -53.17 -33.6 53.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.155 0.502 . . . . 0.0 110.146 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.488 ' SD ' ' CB ' ' A' ' 29' ' ' LYS . 2.3 mpt? -144.36 -125.78 0.08 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.517 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -86.84 138.22 31.75 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 121.127 -0.229 . . . . 0.0 110.509 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.408 ' HB2' ' OG ' ' A' ' 25' ' ' SER . 34.2 t -101.91 128.83 48.14 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 176.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.738 ' SG ' ' HA ' ' A' ' 22' ' ' TRP . 4.8 m -145.66 144.68 30.56 Favored 'General case' 0 C--N 1.313 -0.987 0 C-N-CA 119.121 -1.032 . . . . 0.0 112.789 -177.044 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.528 HD23 ' CE2' ' A' ' 38' ' ' TRP . 0.4 OUTLIER -130.4 153.95 81.44 Favored Pre-proline 0 N--CA 1.444 -0.744 0 CA-C-N 114.412 -1.267 . . . . 0.0 108.762 179.852 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -45.48 147.49 2.68 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.38 2.054 . . . . 0.0 111.35 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.78 -34.73 41.04 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.038 0.447 . . . . 0.0 110.152 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.3 t -59.33 -24.66 63.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.638 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.528 ' CE2' HD23 ' A' ' 34' ' ' LEU . 37.5 t90 -50.91 139.32 17.43 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.368 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -88.59 120.41 29.95 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.076 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.598 ' CD2' ' HG3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -82.91 -134.04 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.832 -179.811 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.598 ' HG3' ' CD2' ' A' ' 40' ' ' TRP . 7.9 mtmp? . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.102 -0.951 . . . . 0.0 110.063 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . 0.564 ' HG ' ' HA ' ' A' ' 23' ' ' ALA . 29.3 tp . . . . . 0 N--CA 1.481 1.124 0 CA-C-O 120.865 0.364 . . . . 0.0 110.723 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 97.6 t -96.62 144.65 10.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.584 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 24' ' ' THR . 27.7 mt -134.9 142.28 46.53 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.334 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.448 ' N ' ' CD ' ' A' ' 4' ' ' LYS . 9.1 mptt -60.3 -41.28 93.08 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.858 0.837 . . . . 0.0 109.082 178.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -161.99 149.53 14.37 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.568 -1.197 . . . . 0.0 109.337 -179.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.583 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . 18.8 t -72.24 120.91 83.06 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-O 120.708 0.289 . . . . 0.0 110.553 -179.023 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.479 ' HD2' ' SG ' ' A' ' 32' ' ' CYS . 52.4 Cg_exo -54.17 136.34 67.59 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.528 2.152 . . . . 0.0 111.488 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -50.22 -34.25 22.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.503 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.437 HG21 ' HB2' ' A' ' 7' ' ' PRO . 7.9 tp -60.16 -32.73 51.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.019 0.438 . . . . 0.0 110.406 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.486 ' CA ' ' O ' ' A' ' 33' ' ' CYS . . . -80.85 -153.66 9.77 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.855 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.427 ' N ' ' O ' ' A' ' 33' ' ' CYS . 5.7 m-85 -154.74 134.02 12.52 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.583 ' SG ' ' CB ' ' A' ' 6' ' ' CYS . 75.2 m -96.81 115.37 27.32 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.9 m -152.72 165.78 34.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.846 0.355 . . . . 0.0 111.243 -178.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.574 ' N ' ' SD ' ' A' ' 30' ' ' MET . 25.6 t-20 -53.96 -31.09 49.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.498 -179.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.2 p -151.86 157.4 41.82 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.455 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.463 ' O ' ' CZ2' ' A' ' 22' ' ' TRP . 59.2 m -110.8 144.18 40.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.752 -178.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.8 m -58.64 132.02 52.57 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 178.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.465 ' C ' ' H ' ' A' ' 20' ' ' GLN . 52.1 tptt -44.6 -36.59 3.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.035 0.445 . . . . 0.0 110.086 -178.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.7 p -75.98 35.82 0.14 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.65 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.465 ' H ' ' C ' ' A' ' 18' ' ' LYS . 22.4 mt-30 -155.72 138.31 15.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.498 -179.007 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 86.3 mt -68.71 135.55 28.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.42 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.463 ' CZ2' ' O ' ' A' ' 16' ' ' CYS . 7.2 m95 -95.55 138.0 33.83 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.228 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.564 ' HA ' ' HG ' ' A' ' 1' ' ' LEU . . . -156.26 139.23 15.38 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.946 0.403 . . . . 0.0 111.06 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 3' ' ' LEU . 8.7 m -82.92 127.71 33.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.356 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 60.0 p -126.46 119.82 28.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.081 0.467 . . . . 0.0 110.634 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -50.84 -42.08 58.24 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.421 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -58.11 -28.68 61.56 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.774 -0.648 . . . . 0.0 113.306 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 89.7 m -113.8 134.84 54.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.308 0.575 . . . . 0.0 112.085 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.518 ' HG3' ' N ' ' A' ' 30' ' ' MET . 8.1 ptpp? -59.66 -49.45 77.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.311 -0.859 . . . . 0.0 112.226 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.574 ' SD ' ' N ' ' A' ' 14' ' ' ASN . 50.6 mtm -81.96 -130.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.504 -178.218 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -110.8 160.76 16.45 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 120.705 0.288 . . . . 0.0 110.83 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.479 ' SG ' ' HD2' ' A' ' 7' ' ' PRO . 43.2 t -101.46 126.7 48.28 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 177.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.486 ' O ' ' CA ' ' A' ' 10' ' ' GLY . 11.6 m -115.66 132.14 56.72 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.544 -177.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.457 HD23 ' CE2' ' A' ' 38' ' ' TRP . 2.3 mp -145.32 148.67 38.51 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 179.353 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -54.04 147.43 43.44 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.263 1.975 . . . . 0.0 111.193 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.05 -32.24 21.17 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.327 0.584 . . . . 0.0 110.339 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.5 m -63.08 -28.68 70.24 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.265 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.457 ' CE2' HD23 ' A' ' 34' ' ' LEU . 32.2 t90 -48.7 137.48 12.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.426 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -85.82 87.32 7.39 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.266 0.555 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.605 ' CE2' ' HG3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -77.99 -129.89 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.274 179.887 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.605 ' HG3' ' CE2' ' A' ' 40' ' ' TRP . 29.2 mtpp . . . . . 0 C--O 1.253 1.254 0 CA-C-O 118.436 -0.792 . . . . 0.0 110.246 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . 0.475 ' HG ' ' NE1' ' A' ' 40' ' ' TRP . 5.3 tt . . . . . 0 N--CA 1.478 0.932 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.2 m -132.56 140.83 46.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.433 ' HB2' ' HA ' ' A' ' 25' ' ' SER . 7.0 mp -109.16 135.67 49.9 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.694 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -62.49 -28.81 70.09 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 176.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -166.17 142.43 4.96 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 113.413 -1.721 . . . . 0.0 109.026 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.411 ' HB2' ' CB ' ' A' ' 25' ' ' SER . 11.1 t -89.6 131.44 39.96 Favored Pre-proline 0 C--N 1.318 -0.791 0 C-N-CA 121.026 -0.27 . . . . 0.0 110.651 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.421 ' HB2' ' CG2' ' A' ' 9' ' ' ILE . 14.2 Cg_exo -66.16 146.24 81.05 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.552 2.168 . . . . 0.0 111.525 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.513 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -47.11 -30.69 2.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.665 -179.216 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.421 ' CG2' ' HB2' ' A' ' 7' ' ' PRO . 5.5 tp -59.99 -34.27 55.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.749 -179.095 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -84.79 177.65 51.16 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.796 -0.716 . . . . 0.0 113.929 -178.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.473 ' CE2' ' NE2' ' A' ' 20' ' ' GLN . 22.6 p90 -152.57 144.87 23.96 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.6 m -91.78 137.54 32.28 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -177.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.4 m -153.51 162.79 40.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.186 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.673 ' HA ' ' SD ' ' A' ' 30' ' ' MET . 6.0 p-10 -51.96 -36.23 48.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.268 0.556 . . . . 0.0 110.238 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 36.2 p -153.74 149.74 27.79 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.425 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.448 ' O ' ' NE1' ' A' ' 22' ' ' TRP . 73.0 m -111.16 144.84 39.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.882 0.372 . . . . 0.0 111.753 -178.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.7 t -58.97 148.75 29.44 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -50.47 -38.95 46.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.109 0.48 . . . . 0.0 110.505 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.5 p -56.93 -26.75 59.96 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.821 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.473 ' NE2' ' CE2' ' A' ' 11' ' ' TYR . 46.5 mt-30 -102.16 133.25 47.32 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.185 -179.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 80.3 mt -67.05 130.57 32.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.448 ' NE1' ' O ' ' A' ' 16' ' ' CYS . 11.9 m95 -75.82 53.45 0.74 Allowed 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.449 0.642 . . . . 0.0 110.146 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.26 110.02 6.41 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.059 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 51.1 m -85.47 108.81 18.07 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.481 ' OG ' ' HB2' ' A' ' 28' ' ' CYS . 1.9 p -88.07 144.75 26.32 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -49.71 -57.63 6.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.935 0.398 . . . . 0.0 110.648 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -77.89 41.53 1.96 Allowed Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 121.098 -0.572 . . . . 0.0 112.447 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.481 ' HB2' ' OG ' ' A' ' 25' ' ' SER . 42.2 t -128.37 133.75 48.71 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.138 0.494 . . . . 0.0 110.835 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -64.99 -25.56 67.91 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.578 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.673 ' SD ' ' HA ' ' A' ' 14' ' ' ASN . 46.2 mtm -150.25 -136.36 0.07 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.563 -179.091 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -86.73 143.55 27.5 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.7 t -101.48 138.73 38.09 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 177.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.1 m -101.21 132.0 46.92 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-O 120.984 0.421 . . . . 0.0 110.744 -177.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.434 HD11 ' CE2' ' A' ' 38' ' ' TRP . 37.7 mt -142.44 131.66 12.02 Favored Pre-proline 0 C--N 1.319 -0.733 0 CA-C-N 115.063 -0.971 . . . . 0.0 108.717 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -49.02 137.88 28.13 Favored 'Trans proline' 0 N--CA 1.459 -0.502 0 C-N-CA 122.136 1.891 . . . . 0.0 111.545 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.05 -24.81 1.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.207 0.527 . . . . 0.0 110.074 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.7 t -69.09 -36.1 77.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.613 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.434 ' CE2' HD11 ' A' ' 34' ' ' LEU . 41.7 t90 -42.75 139.45 1.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.258 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -88.14 113.86 24.18 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.437 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.605 ' CE2' ' HG3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -78.96 -127.44 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.087 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.605 ' HG3' ' CE2' ' A' ' 40' ' ' TRP . 8.7 mtpm? . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.373 -0.823 . . . . 0.0 110.26 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . 0.407 ' HG ' ' HA ' ' A' ' 23' ' ' ALA . 26.6 tp . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 121.116 0.484 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.2 t -91.05 137.12 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.375 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.509 ' HB2' ' HB2' ' A' ' 25' ' ' SER . 6.2 mp -116.55 128.18 55.19 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.434 -179.166 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.515 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -61.36 -26.87 68.11 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 177.095 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -169.47 147.6 3.63 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 113.627 -1.624 . . . . 0.0 109.177 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.769 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 34.0 t -73.25 114.72 33.98 Favored Pre-proline 0 C--N 1.313 -0.982 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.527 -179.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -46.15 138.08 13.19 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 122.355 2.036 . . . . 0.0 111.422 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.487 ' HB3' ' NZ ' ' A' ' 8' ' ' LYS . 4.6 ttpm? -42.23 -38.49 1.78 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.213 -179.038 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.1 tt -64.72 -37.91 81.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.541 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.09 -168.79 4.68 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.838 -0.696 . . . . 0.0 113.562 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -152.48 141.35 21.08 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.7 m -94.79 114.23 26.09 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 178.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.476 ' OG ' ' SG ' ' A' ' 16' ' ' CYS . 3.3 p -152.05 157.72 42.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.151 0.501 . . . . 0.0 112.044 -178.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -55.89 -41.67 74.83 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.11 -0.95 . . . . 0.0 112.096 -178.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.432 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 30.6 p -151.73 158.18 43.03 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.646 -178.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.476 ' SG ' ' OG ' ' A' ' 13' ' ' SER . 82.8 m -154.24 156.1 36.44 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -178.206 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.3 m -50.95 139.13 17.91 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.196 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.451 ' O ' ' HD3' ' A' ' 18' ' ' LYS . 8.9 tmtt? -46.94 -43.43 19.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.088 0.471 . . . . 0.0 110.155 -179.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -46.69 -39.77 12.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.17 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.42 ' HA ' ' O ' ' A' ' 34' ' ' LEU . 88.1 mt-30 -81.13 131.75 35.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.43 178.073 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 69.2 mt -73.26 124.37 30.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 C-N-CA 121.199 -0.201 . . . . 0.0 110.692 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -79.14 52.57 1.32 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.479 ' O ' ' HB3' ' A' ' 32' ' ' CYS . . . -62.28 133.68 55.47 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.051 -179.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 3' ' ' LEU . 97.5 m -82.96 122.63 28.53 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.109 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.509 ' HB2' ' HB2' ' A' ' 3' ' ' LEU . 33.5 t -132.27 132.76 43.34 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.7 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 46.2 m170 -57.07 -34.29 68.13 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -79.02 37.29 1.94 Allowed Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.441 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.769 ' SG ' ' HB2' ' A' ' 6' ' ' CYS . 91.8 m -154.68 126.36 7.53 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -59.56 -42.5 92.55 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.2 mmt -109.26 -139.1 0.38 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.465 -1.243 . . . . 0.0 109.837 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -85.9 156.4 20.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.742 0.306 . . . . 0.0 110.816 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.479 ' HB3' ' O ' ' A' ' 23' ' ' ALA . 19.3 t -101.09 114.77 29.02 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 176.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.6 m -102.75 132.93 48.56 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.43 -176.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.423 HD21 ' CE2' ' A' ' 38' ' ' TRP . 1.5 mp -142.13 141.59 21.98 Favored Pre-proline 0 C--N 1.321 -0.645 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 179.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -45.1 145.58 3.18 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.602 2.201 . . . . 0.0 112.029 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.08 -34.67 44.89 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.165 0.507 . . . . 0.0 109.819 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.1 m -60.99 -25.05 66.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.692 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.436 ' CH2' ' CE3' ' A' ' 40' ' ' TRP . 29.5 t90 -48.37 137.96 10.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.417 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -95.78 120.57 36.28 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.534 ' CG ' ' N ' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -82.42 -132.42 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 -179.639 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.534 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 28.4 mtpp . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.362 -0.828 . . . . 0.0 110.647 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . 0.49 ' HG ' ' NE1' ' A' ' 40' ' ' TRP . 4.7 tt . . . . . 0 N--CA 1.478 0.968 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 64.7 t -132.46 136.65 55.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.438 HD12 ' CH2' ' A' ' 40' ' ' TRP . 7.2 mp -104.64 133.55 49.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.5 179.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -53.24 -32.83 50.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.774 0.797 . . . . 0.0 109.158 177.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -171.33 145.5 2.16 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.317 -1.311 . . . . 0.0 109.493 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.483 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 14.5 t -71.79 118.48 67.05 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.713 -178.474 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.41 ' HB2' HG21 ' A' ' 9' ' ' ILE . 52.6 Cg_exo -54.84 133.01 55.29 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.689 2.259 . . . . 0.0 111.396 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.47 ' HD2' ' H ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -44.97 -35.04 2.69 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.301 -0.409 . . . . 0.0 112.078 -178.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.41 HG21 ' HB2' ' A' ' 7' ' ' PRO . 13.0 tt -59.94 -37.33 71.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.843 0.354 . . . . 0.0 110.586 -179.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.427 ' CA ' ' O ' ' A' ' 33' ' ' CYS . . . -76.28 -162.57 13.62 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.895 -0.669 . . . . 0.0 113.045 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.403 ' CD1' ' C ' ' A' ' 10' ' ' GLY . 8.8 m-85 -154.35 147.3 24.52 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 55.7 m -93.06 121.74 34.72 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.1 m -151.38 157.24 42.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.083 0.468 . . . . 0.0 111.705 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -59.16 -28.0 66.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.078 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 38.1 p -149.4 145.34 26.91 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.307 -179.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 77.0 m -110.93 144.41 40.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.993 0.425 . . . . 0.0 111.244 -178.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.3 m -59.49 146.76 39.19 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.861 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.459 ' C ' ' H ' ' A' ' 20' ' ' GLN . 96.5 mttt -46.62 -42.91 16.92 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.773 0.32 . . . . 0.0 110.83 -179.248 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.4 m -78.07 37.95 0.27 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.249 0.547 . . . . 0.0 110.791 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.459 ' H ' ' C ' ' A' ' 18' ' ' LYS . 84.5 mt-30 -153.24 140.56 19.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.652 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 63.2 mt -75.24 127.45 36.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.677 -0.238 . . . . 0.0 110.828 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 26.2 m95 -78.26 52.38 1.11 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.241 0.543 . . . . 0.0 109.72 178.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.446 ' O ' ' HB3' ' A' ' 32' ' ' CYS . . . -76.43 127.85 33.65 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.508 -179.149 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 1' ' ' LEU . 1.3 p -83.94 122.86 29.31 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.511 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.5 ' OG ' ' SG ' ' A' ' 28' ' ' CYS . 16.1 p -102.06 150.47 23.21 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.103 0.477 . . . . 0.0 111.846 -178.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.473 ' O ' ' ND1' ' A' ' 26' ' ' HIS . 61.4 t-80 -83.66 39.67 0.69 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 178.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -178.33 37.79 0.08 OUTLIER Glycine 0 CA--C 1.52 0.38 0 C-N-CA 120.48 -0.867 . . . . 0.0 113.306 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.5 ' SG ' ' OG ' ' A' ' 25' ' ' SER . 9.1 m -131.45 142.84 50.08 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.566 0.222 . . . . 0.0 110.578 179.087 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -49.73 -35.45 22.18 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 93.6 mmm -144.04 -119.13 0.09 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.653 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -85.8 159.04 19.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.733 0.302 . . . . 0.0 110.737 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.446 ' HB3' ' O ' ' A' ' 23' ' ' ALA . 34.5 t -102.17 123.08 45.39 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 176.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.427 ' O ' ' CA ' ' A' ' 10' ' ' GLY . 41.8 m -101.96 131.04 48.59 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.107 -178.298 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.515 HD11 ' CE2' ' A' ' 38' ' ' TRP . 26.4 mt -142.11 137.55 15.94 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.45 -179.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -45.05 138.9 8.76 Favored 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 122.633 2.222 . . . . 0.0 111.778 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.11 -30.83 11.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.186 0.517 . . . . 0.0 110.114 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.9 t -61.54 -34.69 75.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.297 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.515 ' CE2' HD11 ' A' ' 34' ' ' LEU . 44.0 t90 -48.66 125.86 10.76 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.689 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.485 ' O ' ' HD2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -85.97 131.46 34.28 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.294 0.568 . . . . 0.0 109.556 178.743 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.52 ' CG ' ' N ' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -84.39 -131.27 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.247 -178.174 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.52 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 15.4 ptmm? . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.528 -0.748 . . . . 0.0 110.752 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . 0.52 ' HG ' ' NE1' ' A' ' 40' ' ' TRP . 5.0 tt . . . . . 0 N--CA 1.479 0.978 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.9 t -133.36 128.44 55.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.082 0.468 . . . . 0.0 111.556 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.428 HD12 ' CH2' ' A' ' 40' ' ' TRP . 6.8 mp -102.67 147.27 27.03 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.107 179.282 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -71.27 -33.58 69.9 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 177.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 22.9 p90 -163.89 152.1 13.11 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.645 -1.161 . . . . 0.0 109.223 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.611 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 37.3 t -72.6 116.89 54.29 Favored Pre-proline 0 C--N 1.321 -0.649 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -50.26 142.43 28.91 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.784 2.323 . . . . 0.0 112.461 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -47.85 -41.23 23.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.448 HD12 HG21 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -60.23 -35.61 63.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.28 0.562 . . . . 0.0 109.986 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.87 -178.44 52.36 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.309 -0.859 . . . . 0.0 112.918 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.511 ' CE1' ' SG ' ' A' ' 33' ' ' CYS . 32.7 p90 -154.9 137.63 15.27 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 178.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.611 ' SG ' ' HB2' ' A' ' 6' ' ' CYS . 84.7 m -92.92 135.46 34.13 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.372 0.606 . . . . 0.0 111.892 -177.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.7 m -152.13 156.06 39.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.933 -1.031 . . . . 0.0 109.077 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -53.73 -24.74 15.82 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.975 0.417 . . . . 0.0 110.434 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.1 p -151.1 135.86 17.24 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.449 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 81.9 m -111.78 146.86 36.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.415 -178.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.8 m -53.84 140.23 30.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.255 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.576 ' C ' ' H ' ' A' ' 20' ' ' GLN . 18.3 ptpt -51.59 -37.51 50.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.911 0.386 . . . . 0.0 110.512 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.5 t -70.01 17.31 0.06 Allowed 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.071 0.463 . . . . 0.0 110.49 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.576 ' H ' ' C ' ' A' ' 18' ' ' LYS . 74.2 mt-30 -139.27 145.54 39.3 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.588 179.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 68.2 mt -74.8 125.86 34.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.738 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -78.21 52.42 1.11 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 178.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.1 127.23 31.33 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.213 -0.903 . . . . 0.0 112.14 -178.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.5 m -74.91 136.1 41.43 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 177.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.501 ' OG ' ' HB2' ' A' ' 28' ' ' CYS . 3.4 p -132.43 130.86 41.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.287 0.565 . . . . 0.0 111.955 -178.684 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.496 ' C ' ' H ' ' A' ' 28' ' ' CYS . 63.1 m-70 -55.48 -50.33 70.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.513 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -73.29 28.76 0.83 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.44 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.501 ' HB2' ' OG ' ' A' ' 25' ' ' SER . 38.8 m -155.77 179.59 9.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.824 0.345 . . . . 0.0 110.791 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.7 ' HB3' ' SD ' ' A' ' 30' ' ' MET . 96.9 mttt -89.72 -121.51 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -178.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.7 ' SD ' ' HB3' ' A' ' 29' ' ' LYS . 2.4 mpp? -58.81 -35.98 73.74 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 -176.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.502 ' CG ' ' O ' ' A' ' 30' ' ' MET . 6.6 m-85 -165.28 166.3 18.87 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.814 0.816 . . . . 0.0 113.171 -179.303 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.468 ' HB2' ' OG ' ' A' ' 25' ' ' SER . 3.5 t -121.38 142.44 49.99 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 106.479 -1.674 . . . . 0.0 106.479 176.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.511 ' SG ' ' CE1' ' A' ' 11' ' ' TYR . 34.5 m -103.34 130.37 50.61 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.188 -178.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.481 HD13 ' CE2' ' A' ' 38' ' ' TRP . 18.2 mt -146.05 126.78 7.23 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.476 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -53.44 145.4 46.4 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.204 1.936 . . . . 0.0 111.292 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.09 -32.4 6.75 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.063 0.459 . . . . 0.0 110.086 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.5 p -61.47 -31.76 71.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.147 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.481 ' CE2' HD13 ' A' ' 34' ' ' LEU . 45.8 t90 -49.85 134.81 20.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.693 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -88.98 117.04 27.71 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.91 0.386 . . . . 0.0 110.064 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.613 ' CE2' ' HG3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -77.67 -127.98 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.093 -179.841 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.613 ' HG3' ' CE2' ' A' ' 40' ' ' TRP . 40.0 mtmt . . . . . 0 C--O 1.252 1.19 0 CA-C-O 118.09 -0.957 . . . . 0.0 109.876 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.505 ' HG ' ' HA ' ' A' ' 23' ' ' ALA . 40.4 tp . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 121.335 0.588 . . . . 0.0 110.109 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 61.3 t -94.11 136.09 26.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.718 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.488 ' HB2' ' HA ' ' A' ' 25' ' ' SER . 9.7 mp -116.61 140.01 49.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.774 179.121 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -59.04 -35.74 73.83 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.689 0.756 . . . . 0.0 109.109 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -161.49 155.47 22.17 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.588 -1.187 . . . . 0.0 109.689 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.0 t -72.07 123.1 88.99 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.668 ' HD2' ' SG ' ' A' ' 32' ' ' CYS . 34.1 Cg_exo -59.35 135.63 66.61 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.632 2.222 . . . . 0.0 112.02 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -49.34 -32.51 11.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.882 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.439 HG21 ' HB2' ' A' ' 7' ' ' PRO . 6.5 tp -59.63 -36.42 65.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.703 0.287 . . . . 0.0 111.039 -179.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.71 -156.65 30.97 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.865 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.421 ' CD1' ' HB2' ' A' ' 33' ' ' CYS . 1.9 p90 -155.35 146.6 22.74 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 178.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.436 ' C ' ' HG ' ' A' ' 13' ' ' SER . 41.9 t -93.65 134.56 35.83 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.174 0.511 . . . . 0.0 111.505 -177.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.436 ' HG ' ' C ' ' A' ' 12' ' ' CYS . 17.5 m -152.17 160.65 43.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.361 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.678 ' HA ' ' SD ' ' A' ' 30' ' ' MET . 18.8 p30 -55.22 -32.24 62.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.21 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 59.6 p -150.46 144.31 25.31 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.437 ' O ' ' NE1' ' A' ' 22' ' ' TRP . 62.8 m -111.7 143.89 41.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.562 -178.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.0 t -58.31 145.82 36.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.785 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -43.2 -45.64 5.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.689 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.7 t -58.0 -36.4 72.6 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.232 0.539 . . . . 0.0 109.916 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -77.52 139.23 39.55 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.009 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 74.4 mt -76.58 127.57 37.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.437 ' NE1' ' O ' ' A' ' 16' ' ' CYS . 14.7 m95 -75.02 56.76 0.78 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.228 0.537 . . . . 0.0 110.55 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.505 ' HA ' ' HG ' ' A' ' 1' ' ' LEU . . . -66.95 109.16 2.84 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.493 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.7 p -74.17 107.25 6.24 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.488 ' HA ' ' HB2' ' A' ' 3' ' ' LEU . 56.2 p -94.32 110.08 21.86 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.687 -179.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.525 ' C ' ' H ' ' A' ' 28' ' ' CYS . 20.9 t-160 -51.57 -40.56 59.98 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.135 0.493 . . . . 0.0 109.861 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.69 24.74 0.29 Allowed Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.679 -0.691 . . . . 0.0 113.057 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.525 ' H ' ' C ' ' A' ' 26' ' ' HIS . 42.1 t -154.84 151.62 28.84 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.333 0.587 . . . . 0.0 111.265 178.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.43 ' HG3' ' HG2' ' A' ' 30' ' ' MET . 15.2 ptpt -64.85 -47.27 78.54 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.823 -1.081 . . . . 0.0 111.346 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.678 ' SD ' ' HA ' ' A' ' 14' ' ' ASN . 4.2 mmt -102.17 -158.33 0.66 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.233 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -85.86 160.8 19.34 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-O 120.781 0.324 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.668 ' SG ' ' HD2' ' A' ' 7' ' ' PRO . 50.7 t -102.08 127.57 48.92 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 177.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.421 ' HB2' ' CD1' ' A' ' 11' ' ' TYR . 36.4 m -102.66 130.44 49.57 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.983 -179.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.53 HD13 ' CE2' ' A' ' 38' ' ' TRP . 10.0 mt -141.07 143.05 29.75 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.895 -179.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -55.77 144.67 75.56 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.269 1.979 . . . . 0.0 111.058 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.7 -27.4 11.62 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.255 0.55 . . . . 0.0 110.02 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.6 t -64.43 -29.19 70.25 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.065 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.53 ' CE2' HD13 ' A' ' 34' ' ' LEU . 42.7 t90 -54.29 140.97 31.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.166 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -97.58 127.35 43.47 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.59 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.524 ' CG ' ' N ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -73.61 -132.27 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.445 -179.208 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.524 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 63.1 mtpt . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.499 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 25.6 tp . . . . . 0 N--CA 1.483 1.183 0 CA-C-O 120.918 0.39 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.2 m -122.28 129.83 75.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.953 0.406 . . . . 0.0 110.821 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.458 HD13 ' CH2' ' A' ' 40' ' ' TRP . 5.1 mp -94.86 161.58 14.1 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.805 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.495 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 3.0 mppt? -76.67 -34.02 58.25 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 177.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -158.26 152.58 24.34 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.515 -1.22 . . . . 0.0 109.188 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.408 ' SG ' ' HB2' ' A' ' 12' ' ' CYS . 16.5 t -73.59 117.69 62.81 Favored Pre-proline 0 C--N 1.318 -0.792 0 CA-C-O 120.508 0.194 . . . . 0.0 110.545 -179.15 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.539 ' HD2' ' SG ' ' A' ' 32' ' ' CYS . 13.3 Cg_exo -68.53 134.75 31.56 Favored 'Trans proline' 0 C--O 1.236 0.386 0 C-N-CA 122.648 2.232 . . . . 0.0 111.72 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.483 ' HD2' ' N ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -57.6 -23.22 49.69 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.409 -179.433 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.483 ' N ' ' HD2' ' A' ' 8' ' ' LYS . 6.4 tp -60.24 -31.97 49.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.989 0.423 . . . . 0.0 110.324 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.431 ' C ' ' CD1' ' A' ' 11' ' ' TYR . . . -95.36 -146.66 21.27 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.966 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.431 ' CD1' ' C ' ' A' ' 10' ' ' GLY . 16.2 m-85 -154.2 131.84 11.42 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.408 ' HB2' ' SG ' ' A' ' 6' ' ' CYS . 48.5 t -96.55 126.63 41.87 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.192 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.7 p -152.62 164.98 36.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.916 0.388 . . . . 0.0 111.746 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.43 ' HA ' ' HB3' ' A' ' 30' ' ' MET . 4.7 p-10 -51.89 -31.82 29.91 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.76 -179.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 31.7 p -147.39 149.88 33.61 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.723 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 99.5 m -110.82 143.07 41.95 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.337 0.589 . . . . 0.0 112.278 -178.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.6 p -61.9 145.17 53.62 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.311 -0.858 . . . . 0.0 109.69 179.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm -46.8 -37.94 9.42 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.046 0.45 . . . . 0.0 110.666 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.7 m -64.59 -37.35 87.27 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.122 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -87.85 138.47 31.43 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.166 0.508 . . . . 0.0 112.029 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 66.1 mt -69.02 131.89 33.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.104 178.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 19.2 m95 -77.36 52.23 0.93 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.349 0.595 . . . . 0.0 109.951 178.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.72 119.88 13.18 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.757 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.0 m -84.1 108.52 17.07 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.412 ' HA ' ' HB2' ' A' ' 3' ' ' LEU . 30.7 p -87.01 129.18 34.99 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.734 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -75.49 42.28 0.21 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.402 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.412 ' H ' ' C ' ' A' ' 25' ' ' SER . . . -166.66 26.29 0.16 Allowed Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.301 -0.952 . . . . 0.0 113.241 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.6 t -146.43 145.48 30.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.258 0.552 . . . . 0.0 110.955 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.8 pttm -53.75 -48.52 69.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.189 -0.914 . . . . 0.0 112.726 -178.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.43 ' HB3' ' HA ' ' A' ' 14' ' ' ASN . 26.2 mmt -107.22 -150.85 0.45 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.758 -0.201 . . . . 0.0 111.306 -178.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -86.62 155.12 20.56 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.539 ' SG ' ' HD2' ' A' ' 7' ' ' PRO . 33.7 t -101.52 121.53 42.14 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 177.153 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.41 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 7.7 m -102.32 132.22 48.43 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.064 -178.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.511 HD13 ' CE2' ' A' ' 38' ' ' TRP . 17.7 mt -139.67 142.86 32.93 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.269 -179.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -49.75 140.66 29.45 Favored 'Trans proline' 0 N--CA 1.461 -0.426 0 C-N-CA 122.514 2.143 . . . . 0.0 111.565 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.92 -35.57 33.92 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.347 0.594 . . . . 0.0 109.747 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.5 t -65.34 -26.5 68.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.92 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.511 ' CE2' HD13 ' A' ' 34' ' ' LEU . 49.2 t90 -50.21 131.49 23.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.881 0.372 . . . . 0.0 110.169 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.501 ' NZ ' ' HB3' ' A' ' 39' ' ' LYS . 4.1 mmmp? -80.29 116.69 20.51 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.8 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.521 ' CG ' ' N ' ' A' ' 41' ' ' LYS . 0.7 OUTLIER -90.07 -133.62 0.11 Allowed 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 178.618 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.521 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 6.8 mtmp? . . . . . 0 C--O 1.246 0.909 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.419 ' HG ' ' HA ' ' A' ' 23' ' ' ALA . 29.7 tp . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.948 0.404 . . . . 0.0 110.684 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.1 p -109.11 124.66 65.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.078 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.428 HD12 ' CH2' ' A' ' 40' ' ' TRP . 5.2 mp -96.98 139.21 33.34 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.855 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.413 ' HB2' ' CD1' ' A' ' 5' ' ' TYR . 0.8 OUTLIER -62.12 -34.86 77.14 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 177.258 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.413 ' CD1' ' HB2' ' A' ' 4' ' ' LYS . 9.0 p90 -156.16 140.33 16.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.522 -1.217 . . . . 0.0 110.821 -178.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.479 ' SG ' ' SG ' ' A' ' 12' ' ' CYS . 53.2 t -76.87 126.23 85.98 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.18 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -57.62 136.46 75.83 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 122.205 1.937 . . . . 0.0 110.969 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.54 ' NZ ' ' HA ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -49.94 -38.38 36.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.654 0.264 . . . . 0.0 111.068 -179.463 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.3 tt -60.15 -35.72 63.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.228 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.433 ' CA ' ' O ' ' A' ' 33' ' ' CYS . . . -71.08 177.5 35.34 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.692 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -138.13 130.31 28.82 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.479 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 74.7 m -95.27 120.79 36.11 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.108 0.48 . . . . 0.0 110.859 -179.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.1 t -152.8 172.46 16.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.468 -179.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.458 ' HA ' ' HB3' ' A' ' 30' ' ' MET . 19.0 t-20 -63.15 -27.75 69.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.034 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 55.4 p -144.95 142.77 30.12 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.961 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.4 m -110.89 144.25 40.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.244 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.2 t -52.96 143.74 16.45 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.437 ' HE3' ' HA ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -49.3 -39.21 30.19 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.04 0.448 . . . . 0.0 109.809 -179.755 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.6 t -78.27 31.63 0.18 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.807 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.433 ' HA ' ' O ' ' A' ' 34' ' ' LEU . 84.6 mt-30 -148.18 137.69 22.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.42 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 75.0 mt -72.74 124.29 29.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.604 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 12.8 m95 -78.2 55.16 1.47 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.103 0.477 . . . . 0.0 110.163 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.419 ' HA ' ' HG ' ' A' ' 1' ' ' LEU . . . -72.77 128.06 34.41 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.167 -179.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 51.8 m -83.98 109.35 17.56 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.946 0.403 . . . . 0.0 110.113 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.455 ' OG ' ' HB2' ' A' ' 6' ' ' CYS . 16.9 p -95.16 135.77 36.32 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.077 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -55.76 -43.01 76.28 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.835 0.35 . . . . 0.0 110.88 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -79.26 31.53 2.08 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.653 -0.784 . . . . 0.0 113.656 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.452 ' HB2' ' HG ' ' A' ' 25' ' ' SER . 80.0 m -154.42 140.53 18.43 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.974 0.416 . . . . 0.0 110.597 179.184 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.77 ' HB2' ' SD ' ' A' ' 30' ' ' MET . 62.1 mttt -63.83 -66.82 0.49 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.025 -179.177 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.77 ' SD ' ' HB2' ' A' ' 29' ' ' LYS . 2.9 mpp? -79.02 -128.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.493 -178.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.472 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 43.1 m-85 -105.06 158.02 16.84 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 120.683 0.278 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.45 ' HB2' ' OG ' ' A' ' 25' ' ' SER . 15.3 t -101.97 129.98 48.38 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 176.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.433 ' O ' ' CA ' ' A' ' 10' ' ' GLY . 28.3 m -101.69 131.73 47.78 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 -177.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.571 HD12 ' CE2' ' A' ' 38' ' ' TRP . 36.2 mt -145.61 140.28 15.65 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.41 -178.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -54.74 144.89 63.27 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.671 2.248 . . . . 0.0 111.755 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.57 -33.27 14.58 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.993 0.425 . . . . 0.0 111.2 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.4 t -64.07 -28.43 69.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.292 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.571 ' CE2' HD12 ' A' ' 34' ' ' LEU . 45.6 t90 -49.51 135.44 18.11 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.946 0.403 . . . . 0.0 111.324 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -84.8 123.51 30.52 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.126 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.549 ' CG ' ' N ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -83.9 -122.31 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.98 179.889 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.549 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 20.2 ptmt . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.79 -0.624 . . . . 0.0 110.113 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.53 ' HG ' ' HA ' ' A' ' 23' ' ' ALA . 41.9 tp . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 121.345 0.593 . . . . 0.0 110.676 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 93.5 t -101.07 142.01 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.495 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 24' ' ' THR . 37.3 mt -128.12 157.4 40.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.08 -179.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -67.63 -39.97 84.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.836 0.826 . . . . 0.0 109.161 178.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.525 ' C ' ' HB2' ' A' ' 25' ' ' SER . 12.9 p90 -162.26 160.32 26.71 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.385 -1.279 . . . . 0.0 109.12 -178.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 33.5 t -71.13 115.06 32.76 Favored Pre-proline 0 C--N 1.32 -0.675 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.541 ' HD2' ' SG ' ' A' ' 32' ' ' CYS . 50.2 Cg_exo -53.77 133.22 53.31 Favored 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 122.326 2.017 . . . . 0.0 111.547 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -43.05 -41.91 3.68 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.1 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.7 tt -61.79 -40.74 88.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.053 0.454 . . . . 0.0 110.723 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -77.89 143.34 27.6 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.827 -0.624 . . . . 0.0 113.416 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.471 ' CD1' ' N ' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -107.18 132.31 53.18 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.21 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 16.9 t -94.42 136.0 35.22 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.023 -177.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.6 m -153.47 171.0 19.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.916 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.408 ' HA ' ' HB3' ' A' ' 30' ' ' MET . 16.1 p30 -57.79 -32.33 67.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.31 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.462 ' HB ' ' CH2' ' A' ' 22' ' ' TRP . 40.4 p -151.89 150.16 29.76 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.09 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.553 ' HB2' ' CD1' ' A' ' 22' ' ' TRP . 56.3 m -109.6 136.47 48.92 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.205 0.526 . . . . 0.0 112.07 -177.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.0 m -60.13 145.72 45.82 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.356 178.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.49 ' C ' ' H ' ' A' ' 20' ' ' GLN . 27.2 mtpp -43.53 -41.28 4.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.106 0.479 . . . . 0.0 110.723 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.8 t -74.49 28.56 0.08 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.048 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.49 ' H ' ' C ' ' A' ' 18' ' ' LYS . 25.1 mt-30 -153.95 135.57 14.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.038 0.447 . . . . 0.0 110.221 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 80.9 mt -72.89 126.02 32.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.442 -179.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.553 ' CD1' ' HB2' ' A' ' 16' ' ' CYS . 17.0 m95 -77.09 59.76 1.76 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.096 0.474 . . . . 0.0 109.752 178.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.53 ' HA ' ' HG ' ' A' ' 1' ' ' LEU . . . -73.04 127.09 31.56 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -178.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 3' ' ' LEU . 89.8 m -85.57 131.74 34.3 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.525 ' HB2' ' C ' ' A' ' 5' ' ' TYR . 62.6 p -130.9 135.9 48.11 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -178.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -75.74 55.14 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.333 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -156.02 -33.69 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.588 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.0 t -113.05 144.25 42.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.905 0.384 . . . . 0.0 111.314 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.4 pttp -52.93 -64.29 0.87 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.471 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.408 ' HB3' ' HA ' ' A' ' 14' ' ' ASN . 22.1 mmt -78.45 -148.61 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.483 -178.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -89.17 153.19 21.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.601 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.541 ' SG ' ' HD2' ' A' ' 7' ' ' PRO . 50.1 t -100.81 121.72 42.18 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 176.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.4 m -102.48 131.43 49.18 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.153 0.502 . . . . 0.0 110.67 -177.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.5 mt -125.12 142.08 40.34 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.232 -179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -56.86 143.28 91.78 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 122.381 2.054 . . . . 0.0 111.162 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.25 -34.0 14.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.848 0.356 . . . . 0.0 111.174 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.2 m -64.67 -28.51 69.66 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.295 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 51.0 t90 -53.58 129.19 31.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.392 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -86.01 119.4 26.27 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.901 0.381 . . . . 0.0 110.286 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.531 ' CG ' ' N ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER -86.17 -124.21 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.2 -179.878 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.531 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 14.8 ptmm? . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.847 -0.597 . . . . 0.0 109.739 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.451 HD11 ' CE2' ' A' ' 40' ' ' TRP . 46.4 tp . . . . . 0 N--CA 1.482 1.157 0 CA-C-O 120.92 0.391 . . . . 0.0 110.668 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.7 m -96.56 128.87 47.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.133 0.492 . . . . 0.0 111.819 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 mp -97.77 139.52 33.53 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.193 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -59.79 -35.54 74.87 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 177.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 49.4 p90 -164.96 151.38 10.38 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 113.644 -1.616 . . . . 0.0 108.844 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.0 t -73.05 116.23 48.52 Favored Pre-proline 0 C--N 1.314 -0.947 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.344 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.76 147.23 89.32 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.298 1.999 . . . . 0.0 110.312 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -44.73 -46.18 10.27 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.65 0.262 . . . . 0.0 111.355 -178.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.0 tt -63.03 -33.41 60.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.029 0.442 . . . . 0.0 110.568 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.451 ' HA2' ' HG ' ' A' ' 34' ' ' LEU . . . -63.28 121.89 25.58 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.242 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -88.14 130.46 35.03 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.672 ' SG ' ' N ' ' A' ' 29' ' ' LYS . 42.4 t -96.46 112.06 23.94 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 178.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.425 ' C ' ' HB2' ' A' ' 30' ' ' MET . 49.7 m -151.73 157.59 42.23 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.941 0.401 . . . . 0.0 111.549 -178.194 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -54.79 -29.82 55.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.158 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.4 p -151.84 146.79 25.94 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.491 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.2 m -120.61 152.52 38.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.084 0.468 . . . . 0.0 111.952 -178.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.0 p -58.01 140.58 52.07 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.253 177.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.495 ' NZ ' ' HB3' ' A' ' 18' ' ' LYS . 7.5 mtpm? -47.72 -32.88 6.29 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.857 0.36 . . . . 0.0 111.02 -178.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.5 p -61.74 -40.23 94.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.365 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -85.26 131.29 34.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.934 0.397 . . . . 0.0 111.255 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.47 ' O ' ' HA ' ' A' ' 33' ' ' CYS . 76.2 mt -66.24 123.64 19.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.348 -179.421 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.738 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 11.1 m0 -73.27 69.58 1.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 178.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.47 133.46 34.9 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.42 0.629 . . . . 0.0 112.454 -178.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.4 p -76.4 136.32 39.47 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.408 ' OG ' ' HB2' ' A' ' 32' ' ' CYS . 3.5 p -129.49 138.97 51.69 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.69 0.281 . . . . 0.0 111.285 -179.146 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -77.98 43.59 0.44 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.037 179.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.401 ' H ' ' C ' ' A' ' 25' ' ' SER . . . 171.4 50.58 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.75 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.473 ' SG ' ' O ' ' A' ' 30' ' ' MET . 5.2 t -137.66 134.53 35.56 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.923 0.392 . . . . 0.0 110.309 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.672 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 53.8 mttp -53.17 -33.6 53.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.155 0.502 . . . . 0.0 110.146 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.488 ' SD ' ' CB ' ' A' ' 29' ' ' LYS . 2.3 mpt? -144.36 -125.78 0.08 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.517 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -86.84 138.22 31.75 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 121.127 -0.229 . . . . 0.0 110.509 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.408 ' HB2' ' OG ' ' A' ' 25' ' ' SER . 34.2 t -101.91 128.83 48.14 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 176.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.738 ' SG ' ' HA ' ' A' ' 22' ' ' TRP . 4.8 m -145.66 144.68 30.56 Favored 'General case' 0 C--N 1.313 -0.987 0 C-N-CA 119.121 -1.032 . . . . 0.0 112.789 -177.044 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.528 HD23 ' CE2' ' A' ' 38' ' ' TRP . 0.4 OUTLIER -130.4 153.95 81.44 Favored Pre-proline 0 N--CA 1.444 -0.744 0 CA-C-N 114.412 -1.267 . . . . 0.0 108.762 179.852 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -45.48 147.49 2.68 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.38 2.054 . . . . 0.0 111.35 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.78 -34.73 41.04 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.038 0.447 . . . . 0.0 110.152 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.3 t -59.33 -24.66 63.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.638 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.528 ' CE2' HD23 ' A' ' 34' ' ' LEU . 37.5 t90 -50.91 139.32 17.43 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.368 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -88.59 120.41 29.95 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.076 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.598 ' CD2' ' HG3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -82.91 -134.04 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.832 -179.811 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.598 ' HG3' ' CD2' ' A' ' 40' ' ' TRP . 7.9 mtmp? . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.102 -0.951 . . . . 0.0 110.063 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.564 ' HG ' ' HA ' ' A' ' 23' ' ' ALA . 29.3 tp . . . . . 0 N--CA 1.481 1.124 0 CA-C-O 120.865 0.364 . . . . 0.0 110.723 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 97.6 t -96.62 144.65 10.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.584 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 24' ' ' THR . 27.7 mt -134.9 142.28 46.53 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.334 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.448 ' N ' ' CD ' ' A' ' 4' ' ' LYS . 9.1 mptt -60.3 -41.28 93.08 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.858 0.837 . . . . 0.0 109.082 178.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -161.99 149.53 14.37 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.568 -1.197 . . . . 0.0 109.337 -179.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.583 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . 18.8 t -72.24 120.91 83.06 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-O 120.708 0.289 . . . . 0.0 110.553 -179.023 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.479 ' HD2' ' SG ' ' A' ' 32' ' ' CYS . 52.4 Cg_exo -54.17 136.34 67.59 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.528 2.152 . . . . 0.0 111.488 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -50.22 -34.25 22.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.503 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.437 HG21 ' HB2' ' A' ' 7' ' ' PRO . 7.9 tp -60.16 -32.73 51.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.019 0.438 . . . . 0.0 110.406 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.486 ' CA ' ' O ' ' A' ' 33' ' ' CYS . . . -80.85 -153.66 9.77 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.855 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.427 ' N ' ' O ' ' A' ' 33' ' ' CYS . 5.7 m-85 -154.74 134.02 12.52 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.583 ' SG ' ' CB ' ' A' ' 6' ' ' CYS . 75.2 m -96.81 115.37 27.32 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.9 m -152.72 165.78 34.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.846 0.355 . . . . 0.0 111.243 -178.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.574 ' N ' ' SD ' ' A' ' 30' ' ' MET . 25.6 t-20 -53.96 -31.09 49.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.498 -179.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.2 p -151.86 157.4 41.82 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.455 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.463 ' O ' ' CZ2' ' A' ' 22' ' ' TRP . 59.2 m -110.8 144.18 40.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.752 -178.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.8 m -58.64 132.02 52.57 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 178.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.465 ' C ' ' H ' ' A' ' 20' ' ' GLN . 52.1 tptt -44.6 -36.59 3.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.035 0.445 . . . . 0.0 110.086 -178.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.7 p -75.98 35.82 0.14 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.65 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.465 ' H ' ' C ' ' A' ' 18' ' ' LYS . 22.4 mt-30 -155.72 138.31 15.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.498 -179.007 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 86.3 mt -68.71 135.55 28.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.42 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.463 ' CZ2' ' O ' ' A' ' 16' ' ' CYS . 7.2 m95 -95.55 138.0 33.83 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.228 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.564 ' HA ' ' HG ' ' A' ' 1' ' ' LEU . . . -156.26 139.23 15.38 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.946 0.403 . . . . 0.0 111.06 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 3' ' ' LEU . 8.7 m -82.92 127.71 33.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.356 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 60.0 p -126.46 119.82 28.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.081 0.467 . . . . 0.0 110.634 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -50.84 -42.08 58.24 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.421 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -58.11 -28.68 61.56 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.774 -0.648 . . . . 0.0 113.306 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 89.7 m -113.8 134.84 54.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.308 0.575 . . . . 0.0 112.085 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.518 ' HG3' ' N ' ' A' ' 30' ' ' MET . 8.1 ptpp? -59.66 -49.45 77.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.311 -0.859 . . . . 0.0 112.226 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.574 ' SD ' ' N ' ' A' ' 14' ' ' ASN . 50.6 mtm -81.96 -130.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.504 -178.218 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -110.8 160.76 16.45 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 120.705 0.288 . . . . 0.0 110.83 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.479 ' SG ' ' HD2' ' A' ' 7' ' ' PRO . 43.2 t -101.46 126.7 48.28 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 177.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.486 ' O ' ' CA ' ' A' ' 10' ' ' GLY . 11.6 m -115.66 132.14 56.72 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.544 -177.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.457 HD23 ' CE2' ' A' ' 38' ' ' TRP . 2.3 mp -145.32 148.67 38.51 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 179.353 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -54.04 147.43 43.44 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.263 1.975 . . . . 0.0 111.193 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.05 -32.24 21.17 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.327 0.584 . . . . 0.0 110.339 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.5 m -63.08 -28.68 70.24 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.265 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.457 ' CE2' HD23 ' A' ' 34' ' ' LEU . 32.2 t90 -48.7 137.48 12.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.426 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -85.82 87.32 7.39 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.266 0.555 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.605 ' CE2' ' HG3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -77.99 -129.89 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.274 179.887 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.605 ' HG3' ' CE2' ' A' ' 40' ' ' TRP . 29.2 mtpp . . . . . 0 C--O 1.253 1.254 0 CA-C-O 118.436 -0.792 . . . . 0.0 110.246 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.475 ' HG ' ' NE1' ' A' ' 40' ' ' TRP . 5.3 tt . . . . . 0 N--CA 1.478 0.932 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.2 m -132.56 140.83 46.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.433 ' HB2' ' HA ' ' A' ' 25' ' ' SER . 7.0 mp -109.16 135.67 49.9 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.694 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -62.49 -28.81 70.09 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 176.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -166.17 142.43 4.96 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 113.413 -1.721 . . . . 0.0 109.026 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.411 ' HB2' ' CB ' ' A' ' 25' ' ' SER . 11.1 t -89.6 131.44 39.96 Favored Pre-proline 0 C--N 1.318 -0.791 0 C-N-CA 121.026 -0.27 . . . . 0.0 110.651 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.421 ' HB2' ' CG2' ' A' ' 9' ' ' ILE . 14.2 Cg_exo -66.16 146.24 81.05 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.552 2.168 . . . . 0.0 111.525 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.513 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -47.11 -30.69 2.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.665 -179.216 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.421 ' CG2' ' HB2' ' A' ' 7' ' ' PRO . 5.5 tp -59.99 -34.27 55.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.749 -179.095 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -84.79 177.65 51.16 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.796 -0.716 . . . . 0.0 113.929 -178.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.473 ' CE2' ' NE2' ' A' ' 20' ' ' GLN . 22.6 p90 -152.57 144.87 23.96 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.6 m -91.78 137.54 32.28 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -177.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.4 m -153.51 162.79 40.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.186 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.673 ' HA ' ' SD ' ' A' ' 30' ' ' MET . 6.0 p-10 -51.96 -36.23 48.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.268 0.556 . . . . 0.0 110.238 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 36.2 p -153.74 149.74 27.79 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.425 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.448 ' O ' ' NE1' ' A' ' 22' ' ' TRP . 73.0 m -111.16 144.84 39.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.882 0.372 . . . . 0.0 111.753 -178.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.7 t -58.97 148.75 29.44 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -50.47 -38.95 46.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.109 0.48 . . . . 0.0 110.505 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.5 p -56.93 -26.75 59.96 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.821 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.473 ' NE2' ' CE2' ' A' ' 11' ' ' TYR . 46.5 mt-30 -102.16 133.25 47.32 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.185 -179.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 80.3 mt -67.05 130.57 32.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.448 ' NE1' ' O ' ' A' ' 16' ' ' CYS . 11.9 m95 -75.82 53.45 0.74 Allowed 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.449 0.642 . . . . 0.0 110.146 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.26 110.02 6.41 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.059 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 51.1 m -85.47 108.81 18.07 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.481 ' OG ' ' HB2' ' A' ' 28' ' ' CYS . 1.9 p -88.07 144.75 26.32 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -49.71 -57.63 6.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.935 0.398 . . . . 0.0 110.648 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -77.89 41.53 1.96 Allowed Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 121.098 -0.572 . . . . 0.0 112.447 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.481 ' HB2' ' OG ' ' A' ' 25' ' ' SER . 42.2 t -128.37 133.75 48.71 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.138 0.494 . . . . 0.0 110.835 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -64.99 -25.56 67.91 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.578 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.673 ' SD ' ' HA ' ' A' ' 14' ' ' ASN . 46.2 mtm -150.25 -136.36 0.07 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.563 -179.091 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -86.73 143.55 27.5 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.7 t -101.48 138.73 38.09 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 177.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.1 m -101.21 132.0 46.92 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-O 120.984 0.421 . . . . 0.0 110.744 -177.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.434 HD11 ' CE2' ' A' ' 38' ' ' TRP . 37.7 mt -142.44 131.66 12.02 Favored Pre-proline 0 C--N 1.319 -0.733 0 CA-C-N 115.063 -0.971 . . . . 0.0 108.717 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -49.02 137.88 28.13 Favored 'Trans proline' 0 N--CA 1.459 -0.502 0 C-N-CA 122.136 1.891 . . . . 0.0 111.545 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.05 -24.81 1.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.207 0.527 . . . . 0.0 110.074 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.7 t -69.09 -36.1 77.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.613 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.434 ' CE2' HD11 ' A' ' 34' ' ' LEU . 41.7 t90 -42.75 139.45 1.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.258 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -88.14 113.86 24.18 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.437 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.605 ' CE2' ' HG3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -78.96 -127.44 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.087 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.605 ' HG3' ' CE2' ' A' ' 40' ' ' TRP . 8.7 mtpm? . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.373 -0.823 . . . . 0.0 110.26 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.407 ' HG ' ' HA ' ' A' ' 23' ' ' ALA . 26.6 tp . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 121.116 0.484 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.2 t -91.05 137.12 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.375 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.509 ' HB2' ' HB2' ' A' ' 25' ' ' SER . 6.2 mp -116.55 128.18 55.19 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.434 -179.166 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.515 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -61.36 -26.87 68.11 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 177.095 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -169.47 147.6 3.63 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 113.627 -1.624 . . . . 0.0 109.177 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.769 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 34.0 t -73.25 114.72 33.98 Favored Pre-proline 0 C--N 1.313 -0.982 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.527 -179.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -46.15 138.08 13.19 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 122.355 2.036 . . . . 0.0 111.422 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.487 ' HB3' ' NZ ' ' A' ' 8' ' ' LYS . 4.6 ttpm? -42.23 -38.49 1.78 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.213 -179.038 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.1 tt -64.72 -37.91 81.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.541 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.09 -168.79 4.68 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.838 -0.696 . . . . 0.0 113.562 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -152.48 141.35 21.08 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.7 m -94.79 114.23 26.09 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 178.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.476 ' OG ' ' SG ' ' A' ' 16' ' ' CYS . 3.3 p -152.05 157.72 42.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.151 0.501 . . . . 0.0 112.044 -178.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -55.89 -41.67 74.83 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.11 -0.95 . . . . 0.0 112.096 -178.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.432 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 30.6 p -151.73 158.18 43.03 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.646 -178.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.476 ' SG ' ' OG ' ' A' ' 13' ' ' SER . 82.8 m -154.24 156.1 36.44 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -178.206 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.3 m -50.95 139.13 17.91 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.196 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.451 ' O ' ' HD3' ' A' ' 18' ' ' LYS . 8.9 tmtt? -46.94 -43.43 19.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.088 0.471 . . . . 0.0 110.155 -179.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -46.69 -39.77 12.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.17 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.42 ' HA ' ' O ' ' A' ' 34' ' ' LEU . 88.1 mt-30 -81.13 131.75 35.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.43 178.073 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 69.2 mt -73.26 124.37 30.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 C-N-CA 121.199 -0.201 . . . . 0.0 110.692 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -79.14 52.57 1.32 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.479 ' O ' ' HB3' ' A' ' 32' ' ' CYS . . . -62.28 133.68 55.47 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.051 -179.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 3' ' ' LEU . 97.5 m -82.96 122.63 28.53 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.109 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.509 ' HB2' ' HB2' ' A' ' 3' ' ' LEU . 33.5 t -132.27 132.76 43.34 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.7 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 46.2 m170 -57.07 -34.29 68.13 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -79.02 37.29 1.94 Allowed Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.441 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.769 ' SG ' ' HB2' ' A' ' 6' ' ' CYS . 91.8 m -154.68 126.36 7.53 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -59.56 -42.5 92.55 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.2 mmt -109.26 -139.1 0.38 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.465 -1.243 . . . . 0.0 109.837 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -85.9 156.4 20.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.742 0.306 . . . . 0.0 110.816 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.479 ' HB3' ' O ' ' A' ' 23' ' ' ALA . 19.3 t -101.09 114.77 29.02 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 176.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.6 m -102.75 132.93 48.56 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.43 -176.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.423 HD21 ' CE2' ' A' ' 38' ' ' TRP . 1.5 mp -142.13 141.59 21.98 Favored Pre-proline 0 C--N 1.321 -0.645 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 179.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -45.1 145.58 3.18 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.602 2.201 . . . . 0.0 112.029 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.08 -34.67 44.89 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.165 0.507 . . . . 0.0 109.819 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.1 m -60.99 -25.05 66.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.692 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.436 ' CH2' ' CE3' ' A' ' 40' ' ' TRP . 29.5 t90 -48.37 137.96 10.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.417 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -95.78 120.57 36.28 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.534 ' CG ' ' N ' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -82.42 -132.42 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 -179.639 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.534 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 28.4 mtpp . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.362 -0.828 . . . . 0.0 110.647 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.49 ' HG ' ' NE1' ' A' ' 40' ' ' TRP . 4.7 tt . . . . . 0 N--CA 1.478 0.968 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 64.7 t -132.46 136.65 55.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.438 HD12 ' CH2' ' A' ' 40' ' ' TRP . 7.2 mp -104.64 133.55 49.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.5 179.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -53.24 -32.83 50.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.774 0.797 . . . . 0.0 109.158 177.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -171.33 145.5 2.16 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.317 -1.311 . . . . 0.0 109.493 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.483 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 14.5 t -71.79 118.48 67.05 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.713 -178.474 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.41 ' HB2' HG21 ' A' ' 9' ' ' ILE . 52.6 Cg_exo -54.84 133.01 55.29 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.689 2.259 . . . . 0.0 111.396 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.47 ' HD2' ' H ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -44.97 -35.04 2.69 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.301 -0.409 . . . . 0.0 112.078 -178.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.41 HG21 ' HB2' ' A' ' 7' ' ' PRO . 13.0 tt -59.94 -37.33 71.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.843 0.354 . . . . 0.0 110.586 -179.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.427 ' CA ' ' O ' ' A' ' 33' ' ' CYS . . . -76.28 -162.57 13.62 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.895 -0.669 . . . . 0.0 113.045 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.403 ' CD1' ' C ' ' A' ' 10' ' ' GLY . 8.8 m-85 -154.35 147.3 24.52 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 55.7 m -93.06 121.74 34.72 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.1 m -151.38 157.24 42.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.083 0.468 . . . . 0.0 111.705 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -59.16 -28.0 66.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.078 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 38.1 p -149.4 145.34 26.91 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.307 -179.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 77.0 m -110.93 144.41 40.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.993 0.425 . . . . 0.0 111.244 -178.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.3 m -59.49 146.76 39.19 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.861 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.459 ' C ' ' H ' ' A' ' 20' ' ' GLN . 96.5 mttt -46.62 -42.91 16.92 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.773 0.32 . . . . 0.0 110.83 -179.248 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.4 m -78.07 37.95 0.27 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.249 0.547 . . . . 0.0 110.791 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.459 ' H ' ' C ' ' A' ' 18' ' ' LYS . 84.5 mt-30 -153.24 140.56 19.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.652 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 63.2 mt -75.24 127.45 36.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.677 -0.238 . . . . 0.0 110.828 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 26.2 m95 -78.26 52.38 1.11 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.241 0.543 . . . . 0.0 109.72 178.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.446 ' O ' ' HB3' ' A' ' 32' ' ' CYS . . . -76.43 127.85 33.65 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.508 -179.149 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 1' ' ' LEU . 1.3 p -83.94 122.86 29.31 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.511 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.5 ' OG ' ' SG ' ' A' ' 28' ' ' CYS . 16.1 p -102.06 150.47 23.21 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.103 0.477 . . . . 0.0 111.846 -178.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.473 ' O ' ' ND1' ' A' ' 26' ' ' HIS . 61.4 t-80 -83.66 39.67 0.69 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 178.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -178.33 37.79 0.08 OUTLIER Glycine 0 CA--C 1.52 0.38 0 C-N-CA 120.48 -0.867 . . . . 0.0 113.306 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.5 ' SG ' ' OG ' ' A' ' 25' ' ' SER . 9.1 m -131.45 142.84 50.08 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.566 0.222 . . . . 0.0 110.578 179.087 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -49.73 -35.45 22.18 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 93.6 mmm -144.04 -119.13 0.09 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.653 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -85.8 159.04 19.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.733 0.302 . . . . 0.0 110.737 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.446 ' HB3' ' O ' ' A' ' 23' ' ' ALA . 34.5 t -102.17 123.08 45.39 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 176.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.427 ' O ' ' CA ' ' A' ' 10' ' ' GLY . 41.8 m -101.96 131.04 48.59 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.107 -178.298 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.515 HD11 ' CE2' ' A' ' 38' ' ' TRP . 26.4 mt -142.11 137.55 15.94 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.45 -179.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -45.05 138.9 8.76 Favored 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 122.633 2.222 . . . . 0.0 111.778 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.11 -30.83 11.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.186 0.517 . . . . 0.0 110.114 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.9 t -61.54 -34.69 75.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.297 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.515 ' CE2' HD11 ' A' ' 34' ' ' LEU . 44.0 t90 -48.66 125.86 10.76 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.689 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.485 ' O ' ' HD2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -85.97 131.46 34.28 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.294 0.568 . . . . 0.0 109.556 178.743 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.52 ' CG ' ' N ' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -84.39 -131.27 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.247 -178.174 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.52 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 15.4 ptmm? . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.528 -0.748 . . . . 0.0 110.752 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.52 ' HG ' ' NE1' ' A' ' 40' ' ' TRP . 5.0 tt . . . . . 0 N--CA 1.479 0.978 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.9 t -133.36 128.44 55.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.082 0.468 . . . . 0.0 111.556 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.428 HD12 ' CH2' ' A' ' 40' ' ' TRP . 6.8 mp -102.67 147.27 27.03 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.107 179.282 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -71.27 -33.58 69.9 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 177.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 22.9 p90 -163.89 152.1 13.11 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.645 -1.161 . . . . 0.0 109.223 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.611 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 37.3 t -72.6 116.89 54.29 Favored Pre-proline 0 C--N 1.321 -0.649 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -50.26 142.43 28.91 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.784 2.323 . . . . 0.0 112.461 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -47.85 -41.23 23.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.448 HD12 HG21 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -60.23 -35.61 63.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.28 0.562 . . . . 0.0 109.986 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.87 -178.44 52.36 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.309 -0.859 . . . . 0.0 112.918 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.511 ' CE1' ' SG ' ' A' ' 33' ' ' CYS . 32.7 p90 -154.9 137.63 15.27 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 178.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.611 ' SG ' ' HB2' ' A' ' 6' ' ' CYS . 84.7 m -92.92 135.46 34.13 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.372 0.606 . . . . 0.0 111.892 -177.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.7 m -152.13 156.06 39.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.933 -1.031 . . . . 0.0 109.077 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -53.73 -24.74 15.82 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.975 0.417 . . . . 0.0 110.434 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.1 p -151.1 135.86 17.24 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.449 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 81.9 m -111.78 146.86 36.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.415 -178.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.8 m -53.84 140.23 30.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.255 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.576 ' C ' ' H ' ' A' ' 20' ' ' GLN . 18.3 ptpt -51.59 -37.51 50.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.911 0.386 . . . . 0.0 110.512 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.5 t -70.01 17.31 0.06 Allowed 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.071 0.463 . . . . 0.0 110.49 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.576 ' H ' ' C ' ' A' ' 18' ' ' LYS . 74.2 mt-30 -139.27 145.54 39.3 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.588 179.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 68.2 mt -74.8 125.86 34.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.738 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -78.21 52.42 1.11 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 178.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.1 127.23 31.33 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.213 -0.903 . . . . 0.0 112.14 -178.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.5 m -74.91 136.1 41.43 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 177.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.501 ' OG ' ' HB2' ' A' ' 28' ' ' CYS . 3.4 p -132.43 130.86 41.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.287 0.565 . . . . 0.0 111.955 -178.684 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.496 ' C ' ' H ' ' A' ' 28' ' ' CYS . 63.1 m-70 -55.48 -50.33 70.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.513 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -73.29 28.76 0.83 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.44 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.501 ' HB2' ' OG ' ' A' ' 25' ' ' SER . 38.8 m -155.77 179.59 9.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.824 0.345 . . . . 0.0 110.791 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.7 ' HB3' ' SD ' ' A' ' 30' ' ' MET . 96.9 mttt -89.72 -121.51 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -178.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.7 ' SD ' ' HB3' ' A' ' 29' ' ' LYS . 2.4 mpp? -58.81 -35.98 73.74 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 -176.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.502 ' CG ' ' O ' ' A' ' 30' ' ' MET . 6.6 m-85 -165.28 166.3 18.87 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.814 0.816 . . . . 0.0 113.171 -179.303 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.468 ' HB2' ' OG ' ' A' ' 25' ' ' SER . 3.5 t -121.38 142.44 49.99 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 106.479 -1.674 . . . . 0.0 106.479 176.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.511 ' SG ' ' CE1' ' A' ' 11' ' ' TYR . 34.5 m -103.34 130.37 50.61 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.188 -178.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.481 HD13 ' CE2' ' A' ' 38' ' ' TRP . 18.2 mt -146.05 126.78 7.23 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.476 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -53.44 145.4 46.4 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.204 1.936 . . . . 0.0 111.292 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.09 -32.4 6.75 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.063 0.459 . . . . 0.0 110.086 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.5 p -61.47 -31.76 71.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.147 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.481 ' CE2' HD13 ' A' ' 34' ' ' LEU . 45.8 t90 -49.85 134.81 20.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.693 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -88.98 117.04 27.71 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.91 0.386 . . . . 0.0 110.064 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.613 ' CE2' ' HG3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -77.67 -127.98 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.093 -179.841 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.613 ' HG3' ' CE2' ' A' ' 40' ' ' TRP . 40.0 mtmt . . . . . 0 C--O 1.252 1.19 0 CA-C-O 118.09 -0.957 . . . . 0.0 109.876 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.522 HD12 ' CE2' ' A' ' 40' ' ' TRP . 40.4 tp . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 121.335 0.588 . . . . 0.0 110.109 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 61.3 t -94.11 136.09 26.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.718 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.591 ' CD1' ' HB1' ' A' ' 23' ' ' ALA . 9.7 mp -116.61 140.01 49.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.774 179.121 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.434 ' CD ' ' H ' ' A' ' 4' ' ' LYS . 11.8 mptt -59.04 -35.74 73.83 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.689 0.756 . . . . 0.0 109.109 178.52 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -161.49 155.47 22.17 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.588 -1.187 . . . . 0.0 109.689 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 35.0 t -72.07 123.1 88.99 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 -179.412 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.694 ' HD2' ' SG ' ' A' ' 32' ' ' CYS . 34.1 Cg_exo -59.35 135.63 66.61 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.632 2.222 . . . . 0.0 112.02 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -49.34 -32.51 11.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.882 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.501 HG23 ' CD2' ' A' ' 34' ' ' LEU . 6.5 tp -59.63 -36.42 65.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.703 0.287 . . . . 0.0 111.039 -179.309 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.597 ' HA3' HD23 ' A' ' 34' ' ' LEU . . . -96.71 -156.65 30.97 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.865 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.425 ' CD1' ' HB2' ' A' ' 33' ' ' CYS . 1.9 p90 -155.35 146.6 22.74 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 178.642 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.9 t -93.65 134.56 35.83 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.174 0.511 . . . . 0.0 111.505 -177.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.5 m -152.17 160.65 43.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.361 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.688 ' HA ' ' SD ' ' A' ' 30' ' ' MET . 18.8 p30 -55.22 -32.24 62.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.21 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 59.6 p -150.46 144.31 25.31 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.437 ' O ' ' NE1' ' A' ' 22' ' ' TRP . 62.8 m -111.7 143.89 41.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.562 -178.564 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.0 t -58.31 145.82 36.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.785 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -43.2 -45.64 5.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.689 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.7 t -58.0 -36.4 72.6 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.232 0.539 . . . . 0.0 109.916 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.401 ' NE2' ' HB3' ' A' ' 33' ' ' CYS . 78.0 mt-30 -77.52 139.23 39.55 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.009 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.534 HD12 ' HE3' ' A' ' 38' ' ' TRP . 74.4 mt -76.58 127.57 37.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.105 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.437 ' NE1' ' O ' ' A' ' 16' ' ' CYS . 14.7 m95 -75.02 56.76 0.78 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.228 0.537 . . . . 0.0 110.55 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.591 ' HB1' ' CD1' ' A' ' 3' ' ' LEU . . . -66.95 109.16 2.84 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.493 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.7 p -74.17 107.25 6.24 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.197 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.499 ' HA ' ' HB2' ' A' ' 3' ' ' LEU . 56.2 p -94.32 110.08 21.86 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.687 -179.334 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.494 ' C ' ' H ' ' A' ' 28' ' ' CYS . 1.1 t60 -51.57 -40.56 59.98 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.135 0.493 . . . . 0.0 109.861 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.69 24.74 0.29 Allowed Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.679 -0.691 . . . . 0.0 113.057 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.494 ' H ' ' C ' ' A' ' 26' ' ' HIS . 42.1 t -154.84 151.62 28.84 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.333 0.587 . . . . 0.0 111.265 178.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.455 ' HG3' ' HG2' ' A' ' 30' ' ' MET . 15.2 ptpt -64.85 -47.27 78.54 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.823 -1.081 . . . . 0.0 111.346 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.688 ' SD ' ' HA ' ' A' ' 14' ' ' ASN . 4.2 mmt -102.17 -158.33 0.66 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.233 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -85.86 160.8 19.34 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-O 120.781 0.324 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.694 ' SG ' ' HD2' ' A' ' 7' ' ' PRO . 50.7 t -102.08 127.57 48.92 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 177.687 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.425 ' HB2' ' CD1' ' A' ' 11' ' ' TYR . 36.4 m -102.66 130.44 49.57 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.983 -179.077 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.622 HD13 ' CE2' ' A' ' 38' ' ' TRP . 10.0 mt -141.07 143.05 29.75 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.895 -179.318 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -55.77 144.67 75.56 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.269 1.979 . . . . 0.0 111.058 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.7 -27.4 11.62 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.255 0.55 . . . . 0.0 110.02 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.6 t -64.43 -29.19 70.25 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.065 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.622 ' CE2' HD13 ' A' ' 34' ' ' LEU . 42.7 t90 -54.29 140.97 31.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.166 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -97.58 127.35 43.47 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.59 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.524 ' CG ' ' N ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -73.61 -132.27 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.445 -179.208 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.524 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 63.1 mtpt . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.499 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.65 HD12 ' NE1' ' A' ' 40' ' ' TRP . 25.6 tp . . . . . 0 N--CA 1.483 1.183 0 CA-C-O 120.918 0.39 . . . . 0.0 110.767 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.2 m -122.28 129.83 75.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.953 0.406 . . . . 0.0 110.821 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.759 HD13 ' HB1' ' A' ' 23' ' ' ALA . 5.1 mp -94.86 161.58 14.1 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.805 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.488 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 3.0 mppt? -76.67 -34.02 58.25 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 177.63 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -158.26 152.58 24.34 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.515 -1.22 . . . . 0.0 109.188 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.428 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 16.5 t -73.59 117.69 62.81 Favored Pre-proline 0 C--N 1.318 -0.792 0 CA-C-O 120.508 0.194 . . . . 0.0 110.545 -179.15 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.666 ' HB2' HG22 ' A' ' 9' ' ' ILE . 13.3 Cg_exo -68.53 134.75 31.56 Favored 'Trans proline' 0 C--O 1.236 0.386 0 C-N-CA 122.648 2.232 . . . . 0.0 111.72 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.492 ' HD2' ' N ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -57.6 -23.22 49.69 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.409 -179.433 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.666 HG22 ' HB2' ' A' ' 7' ' ' PRO . 6.4 tp -60.24 -31.97 49.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.989 0.423 . . . . 0.0 110.324 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.643 ' HA3' HD23 ' A' ' 34' ' ' LEU . . . -95.36 -146.66 21.27 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.966 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.431 ' CD1' ' C ' ' A' ' 10' ' ' GLY . 16.2 m-85 -154.2 131.84 11.42 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.415 ' HB2' ' SG ' ' A' ' 6' ' ' CYS . 48.5 t -96.55 126.63 41.87 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.192 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.7 p -152.62 164.98 36.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.916 0.388 . . . . 0.0 111.746 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.441 ' HA ' ' HB3' ' A' ' 30' ' ' MET . 4.7 p-10 -51.89 -31.82 29.91 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.76 -179.576 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 31.7 p -147.39 149.88 33.61 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.723 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 99.5 m -110.82 143.07 41.95 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.337 0.589 . . . . 0.0 112.278 -178.361 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.6 p -61.9 145.17 53.62 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.311 -0.858 . . . . 0.0 109.69 179.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm -46.8 -37.94 9.42 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.046 0.45 . . . . 0.0 110.666 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.7 m -64.59 -37.35 87.27 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.122 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -87.85 138.47 31.43 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.166 0.508 . . . . 0.0 112.029 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.515 HD12 ' HE3' ' A' ' 38' ' ' TRP . 66.1 mt -69.02 131.89 33.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.104 178.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 19.2 m95 -77.36 52.23 0.93 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.349 0.595 . . . . 0.0 109.951 178.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.759 ' HB1' HD13 ' A' ' 3' ' ' LEU . . . -67.72 119.88 13.18 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.757 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.0 m -84.1 108.52 17.07 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.416 ' HA ' ' HB2' ' A' ' 3' ' ' LEU . 30.7 p -87.01 129.18 34.99 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.734 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -75.49 42.28 0.21 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.402 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -166.66 26.29 0.16 Allowed Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.301 -0.952 . . . . 0.0 113.241 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.6 t -146.43 145.48 30.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.258 0.552 . . . . 0.0 110.955 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.8 pttm -53.75 -48.52 69.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.189 -0.914 . . . . 0.0 112.726 -178.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.441 ' HB3' ' HA ' ' A' ' 14' ' ' ASN . 26.2 mmt -107.22 -150.85 0.45 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.758 -0.201 . . . . 0.0 111.306 -178.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -86.62 155.12 20.56 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.57 ' SG ' ' HD2' ' A' ' 7' ' ' PRO . 33.7 t -101.52 121.53 42.14 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 177.153 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.428 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 7.7 m -102.32 132.22 48.43 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.064 -178.132 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.643 HD23 ' HA3' ' A' ' 10' ' ' GLY . 17.7 mt -139.67 142.86 32.93 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.269 -179.071 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -49.75 140.66 29.45 Favored 'Trans proline' 0 N--CA 1.461 -0.426 0 C-N-CA 122.514 2.143 . . . . 0.0 111.565 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.92 -35.57 33.92 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.347 0.594 . . . . 0.0 109.747 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.5 t -65.34 -26.5 68.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.92 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.598 ' CE2' HD13 ' A' ' 34' ' ' LEU . 49.2 t90 -50.21 131.49 23.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.881 0.372 . . . . 0.0 110.169 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.497 ' NZ ' ' HB3' ' A' ' 39' ' ' LYS . 4.1 mmmp? -80.29 116.69 20.51 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.8 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.65 ' NE1' HD12 ' A' ' 1' ' ' LEU . 0.7 OUTLIER -90.07 -133.62 0.11 Allowed 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 178.618 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.521 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 6.8 mtmp? . . . . . 0 C--O 1.246 0.909 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.559 HD12 ' NE1' ' A' ' 40' ' ' TRP . 29.7 tp . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.948 0.404 . . . . 0.0 110.684 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.423 ' O ' HG13 ' A' ' 2' ' ' VAL . 11.1 p -109.11 124.66 65.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.078 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.766 ' CD1' ' HB1' ' A' ' 23' ' ' ALA . 5.2 mp -96.98 139.21 33.34 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.855 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.438 ' HB2' ' CD1' ' A' ' 5' ' ' TYR . 0.8 OUTLIER -62.12 -34.86 77.14 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 177.258 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.438 ' CD1' ' HB2' ' A' ' 4' ' ' LYS . 9.0 p90 -156.16 140.33 16.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.522 -1.217 . . . . 0.0 110.821 -178.436 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.479 ' SG ' ' SG ' ' A' ' 12' ' ' CYS . 53.2 t -76.87 126.23 85.98 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.18 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.424 ' HD2' HD11 ' A' ' 34' ' ' LEU . 35.6 Cg_exo -57.62 136.46 75.83 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 122.205 1.937 . . . . 0.0 110.969 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.556 ' NZ ' ' HA ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -49.94 -38.38 36.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.654 0.264 . . . . 0.0 111.068 -179.463 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.3 tt -60.15 -35.72 63.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.228 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.433 ' CA ' ' O ' ' A' ' 33' ' ' CYS . . . -71.08 177.5 35.34 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.692 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -138.13 130.31 28.82 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.496 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 74.7 m -95.27 120.79 36.11 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.108 0.48 . . . . 0.0 110.859 -179.375 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.1 t -152.8 172.46 16.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.468 -179.074 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.471 ' HA ' ' HB3' ' A' ' 30' ' ' MET . 19.0 t-20 -63.15 -27.75 69.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.034 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 55.4 p -144.95 142.77 30.12 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.961 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.4 m -110.89 144.25 40.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.244 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.2 t -52.96 143.74 16.45 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.445 ' HE3' ' HA ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -49.3 -39.21 30.19 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.04 0.448 . . . . 0.0 109.809 -179.755 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.6 t -78.27 31.63 0.18 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.807 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.438 ' HA ' ' O ' ' A' ' 34' ' ' LEU . 84.6 mt-30 -148.18 137.69 22.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.42 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.552 HD12 ' HE3' ' A' ' 38' ' ' TRP . 75.0 mt -72.74 124.29 29.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.604 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 12.8 m95 -78.2 55.16 1.47 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.103 0.477 . . . . 0.0 110.163 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.766 ' HB1' ' CD1' ' A' ' 3' ' ' LEU . . . -72.77 128.06 34.41 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.167 -179.403 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 51.8 m -83.98 109.35 17.56 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.946 0.403 . . . . 0.0 110.113 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.471 ' OG ' ' HB2' ' A' ' 6' ' ' CYS . 16.9 p -95.16 135.77 36.32 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.077 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -55.76 -43.01 76.28 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.835 0.35 . . . . 0.0 110.88 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -79.26 31.53 2.08 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.653 -0.784 . . . . 0.0 113.656 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.423 ' HB2' ' OG ' ' A' ' 25' ' ' SER . 80.0 m -154.42 140.53 18.43 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.974 0.416 . . . . 0.0 110.597 179.184 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.792 ' HB2' ' SD ' ' A' ' 30' ' ' MET . 62.1 mttt -63.83 -66.82 0.49 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.025 -179.177 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.792 ' SD ' ' HB2' ' A' ' 29' ' ' LYS . 2.9 mpp? -79.02 -128.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.493 -178.768 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.496 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 43.1 m-85 -105.06 158.02 16.84 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 120.683 0.278 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.471 ' HB2' ' OG ' ' A' ' 25' ' ' SER . 15.3 t -101.97 129.98 48.38 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 176.152 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.433 ' O ' ' CA ' ' A' ' 10' ' ' GLY . 28.3 m -101.69 131.73 47.78 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 -177.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.666 HD13 ' CE2' ' A' ' 38' ' ' TRP . 36.2 mt -145.61 140.28 15.65 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.41 -178.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -54.74 144.89 63.27 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.671 2.248 . . . . 0.0 111.755 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.57 -33.27 14.58 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.993 0.425 . . . . 0.0 111.2 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.4 t -64.07 -28.43 69.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.292 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.666 ' CE2' HD13 ' A' ' 34' ' ' LEU . 45.6 t90 -49.51 135.44 18.11 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.946 0.403 . . . . 0.0 111.324 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -84.8 123.51 30.52 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.126 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.559 ' NE1' HD12 ' A' ' 1' ' ' LEU . 0.0 OUTLIER -83.9 -122.31 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.98 179.889 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.549 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 20.2 ptmt . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.79 -0.624 . . . . 0.0 110.113 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.533 ' HG ' ' HA ' ' A' ' 23' ' ' ALA . 41.9 tp . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 121.345 0.593 . . . . 0.0 110.676 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 93.5 t -101.07 142.01 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.495 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.725 HD11 ' HB1' ' A' ' 23' ' ' ALA . 37.3 mt -128.12 157.4 40.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.08 -179.088 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -67.63 -39.97 84.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.836 0.826 . . . . 0.0 109.161 178.13 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.553 ' C ' ' HB2' ' A' ' 25' ' ' SER . 12.9 p90 -162.26 160.32 26.71 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.385 -1.279 . . . . 0.0 109.12 -178.483 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 33.5 t -71.13 115.06 32.76 Favored Pre-proline 0 C--N 1.32 -0.675 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.563 ' HD2' ' SG ' ' A' ' 32' ' ' CYS . 50.2 Cg_exo -53.77 133.22 53.31 Favored 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 122.326 2.017 . . . . 0.0 111.547 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -43.05 -41.91 3.68 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.1 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.403 HG23 ' N ' ' A' ' 10' ' ' GLY . 10.7 tt -61.79 -40.74 88.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.053 0.454 . . . . 0.0 110.723 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.57 ' CA ' HD23 ' A' ' 34' ' ' LEU . . . -77.89 143.34 27.6 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.827 -0.624 . . . . 0.0 113.416 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.471 ' CD1' ' N ' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -107.18 132.31 53.18 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.21 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 16.9 t -94.42 136.0 35.22 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.023 -177.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.6 m -153.47 171.0 19.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.916 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.4 ' HA ' ' HB3' ' A' ' 30' ' ' MET . 16.1 p30 -57.79 -32.33 67.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.31 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.472 ' HB ' ' CH2' ' A' ' 22' ' ' TRP . 40.4 p -151.89 150.16 29.76 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.09 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.568 ' HB2' ' CD1' ' A' ' 22' ' ' TRP . 56.3 m -109.6 136.47 48.92 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.205 0.526 . . . . 0.0 112.07 -177.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.0 m -60.13 145.72 45.82 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.356 178.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.449 ' C ' ' H ' ' A' ' 20' ' ' GLN . 27.2 mtpp -43.53 -41.28 4.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.106 0.479 . . . . 0.0 110.723 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.8 t -74.49 28.56 0.08 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.048 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.449 ' H ' ' C ' ' A' ' 18' ' ' LYS . 83.3 mt-30 -153.95 135.57 14.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.038 0.447 . . . . 0.0 110.221 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.456 HG22 HD21 ' A' ' 1' ' ' LEU . 80.9 mt -72.89 126.02 32.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.442 -179.281 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.568 ' CD1' ' HB2' ' A' ' 16' ' ' CYS . 17.0 m95 -77.09 59.76 1.76 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.096 0.474 . . . . 0.0 109.752 178.692 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.725 ' HB1' HD11 ' A' ' 3' ' ' LEU . . . -73.04 127.09 31.56 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -178.446 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 3' ' ' LEU . 89.8 m -85.57 131.74 34.3 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.439 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.553 ' HB2' ' C ' ' A' ' 5' ' ' TYR . 62.6 p -130.9 135.9 48.11 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -178.356 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -75.74 55.14 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.333 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -156.02 -33.69 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.588 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.0 t -113.05 144.25 42.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.905 0.384 . . . . 0.0 111.314 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.4 pttp -52.93 -64.29 0.87 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.471 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.4 ' HB3' ' HA ' ' A' ' 14' ' ' ASN . 22.1 mmt -78.45 -148.61 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.483 -178.522 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -89.17 153.19 21.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.601 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.563 ' SG ' ' HD2' ' A' ' 7' ' ' PRO . 50.1 t -100.81 121.72 42.18 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 176.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.411 ' HB2' ' HD1' ' A' ' 11' ' ' TYR . 5.4 m -102.48 131.43 49.18 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.153 0.502 . . . . 0.0 110.67 -177.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.66 HD13 ' CE3' ' A' ' 38' ' ' TRP . 14.5 mt -125.12 142.08 40.34 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.232 -179.328 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 34' ' ' LEU . 31.5 Cg_exo -56.86 143.28 91.78 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 122.381 2.054 . . . . 0.0 111.162 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.25 -34.0 14.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.848 0.356 . . . . 0.0 111.174 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.2 m -64.67 -28.51 69.66 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.295 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.66 ' CE3' HD13 ' A' ' 34' ' ' LEU . 51.0 t90 -53.58 129.19 31.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.392 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -86.01 119.4 26.27 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.901 0.381 . . . . 0.0 110.286 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.55 ' CG ' ' N ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER -86.17 -124.21 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.2 -179.878 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.55 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 14.8 ptmm? . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.847 -0.597 . . . . 0.0 109.739 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.551 HD12 ' CE2' ' A' ' 40' ' ' TRP . 46.4 tp . . . . . 0 N--CA 1.482 1.157 0 CA-C-O 120.92 0.391 . . . . 0.0 110.668 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.7 m -96.56 128.87 47.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.133 0.492 . . . . 0.0 111.819 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.513 HD12 ' CH2' ' A' ' 40' ' ' TRP . 6.0 mp -97.77 139.52 33.53 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.193 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.466 ' CD ' ' H ' ' A' ' 4' ' ' LYS . 2.0 mptp? -59.79 -35.54 74.87 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 177.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 49.4 p90 -164.96 151.38 10.38 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 113.644 -1.616 . . . . 0.0 108.844 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.0 t -73.05 116.23 48.52 Favored Pre-proline 0 C--N 1.314 -0.947 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.344 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.64 ' HG2' HD21 ' A' ' 34' ' ' LEU . 31.7 Cg_exo -58.76 147.23 89.32 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.298 1.999 . . . . 0.0 110.312 179.428 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -44.73 -46.18 10.27 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.65 0.262 . . . . 0.0 111.355 -178.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.768 HG23 HD23 ' A' ' 34' ' ' LEU . 16.0 tt -63.03 -33.41 60.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.029 0.442 . . . . 0.0 110.568 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.489 ' HA2' ' HG ' ' A' ' 34' ' ' LEU . . . -63.28 121.89 25.58 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.242 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.533 ' CE1' ' NE2' ' A' ' 20' ' ' GLN . 8.7 m-85 -88.14 130.46 35.03 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.672 ' SG ' ' N ' ' A' ' 29' ' ' LYS . 42.4 t -96.46 112.06 23.94 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 178.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.446 ' C ' ' HB2' ' A' ' 30' ' ' MET . 49.7 m -151.73 157.59 42.23 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.941 0.401 . . . . 0.0 111.549 -178.194 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.41 ' HA ' ' HB3' ' A' ' 30' ' ' MET . 24.0 t-20 -54.79 -29.82 55.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.158 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.4 p -151.84 146.79 25.94 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.491 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.2 m -120.61 152.52 38.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.084 0.468 . . . . 0.0 111.952 -178.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.0 p -58.01 140.58 52.07 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.253 177.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.497 ' NZ ' ' HB3' ' A' ' 18' ' ' LYS . 7.5 mtpm? -47.72 -32.88 6.29 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.857 0.36 . . . . 0.0 111.02 -178.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.5 p -61.74 -40.23 94.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.365 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.533 ' NE2' ' CE1' ' A' ' 11' ' ' TYR . 82.2 mt-30 -85.26 131.29 34.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.934 0.397 . . . . 0.0 111.255 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.456 HD12 ' HE3' ' A' ' 38' ' ' TRP . 76.2 mt -66.24 123.64 19.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.348 -179.421 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.747 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 11.1 m0 -73.27 69.58 1.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 178.438 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.445 ' HB1' ' CD1' ' A' ' 3' ' ' LEU . . . -83.47 133.46 34.9 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.42 0.629 . . . . 0.0 112.454 -178.412 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.4 p -76.4 136.32 39.47 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.433 ' OG ' ' HB2' ' A' ' 32' ' ' CYS . 3.5 p -129.49 138.97 51.69 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.69 0.281 . . . . 0.0 111.285 -179.146 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -77.98 43.59 0.44 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.037 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 171.4 50.58 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.75 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.473 ' SG ' ' O ' ' A' ' 30' ' ' MET . 5.2 t -137.66 134.53 35.56 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.923 0.392 . . . . 0.0 110.309 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.672 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 53.8 mttp -53.17 -33.6 53.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.155 0.502 . . . . 0.0 110.146 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.488 ' SD ' ' CB ' ' A' ' 29' ' ' LYS . 2.3 mpt? -144.36 -125.78 0.08 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.517 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -86.84 138.22 31.75 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 121.127 -0.229 . . . . 0.0 110.509 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.433 ' HB2' ' OG ' ' A' ' 25' ' ' SER . 34.2 t -101.91 128.83 48.14 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 176.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.747 ' SG ' ' HA ' ' A' ' 22' ' ' TRP . 4.8 m -145.66 144.68 30.56 Favored 'General case' 0 C--N 1.313 -0.987 0 C-N-CA 119.121 -1.032 . . . . 0.0 112.789 -177.044 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.768 HD23 HG23 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -130.4 153.95 81.44 Favored Pre-proline 0 N--CA 1.444 -0.744 0 CA-C-N 114.412 -1.267 . . . . 0.0 108.762 179.852 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -45.48 147.49 2.68 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.38 2.054 . . . . 0.0 111.35 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.78 -34.73 41.04 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.038 0.447 . . . . 0.0 110.152 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.3 t -59.33 -24.66 63.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.638 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.75 ' NE1' HD22 ' A' ' 34' ' ' LEU . 37.5 t90 -50.91 139.32 17.43 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.368 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -88.59 120.41 29.95 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.076 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.623 ' CD2' ' HG3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -82.91 -134.04 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.832 -179.811 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.623 ' HG3' ' CD2' ' A' ' 40' ' ' TRP . 7.9 mtmp? . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.102 -0.951 . . . . 0.0 110.063 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.602 HD12 ' CZ2' ' A' ' 40' ' ' TRP . 29.3 tp . . . . . 0 N--CA 1.481 1.124 0 CA-C-O 120.865 0.364 . . . . 0.0 110.723 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 97.6 t -96.62 144.65 10.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.584 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.617 HD11 ' CB ' ' A' ' 23' ' ' ALA . 27.7 mt -134.9 142.28 46.53 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.334 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.519 ' CD ' ' H ' ' A' ' 4' ' ' LYS . 9.1 mptt -60.3 -41.28 93.08 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.858 0.837 . . . . 0.0 109.082 178.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -161.99 149.53 14.37 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.568 -1.197 . . . . 0.0 109.337 -179.102 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.583 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . 18.8 t -72.24 120.91 83.06 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-O 120.708 0.289 . . . . 0.0 110.553 -179.023 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.507 ' HD2' ' SG ' ' A' ' 32' ' ' CYS . 52.4 Cg_exo -54.17 136.34 67.59 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.528 2.152 . . . . 0.0 111.488 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -50.22 -34.25 22.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.503 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.429 HG23 HD23 ' A' ' 34' ' ' LEU . 7.9 tp -60.16 -32.73 51.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.019 0.438 . . . . 0.0 110.406 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.486 ' CA ' ' O ' ' A' ' 33' ' ' CYS . . . -80.85 -153.66 9.77 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.855 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.427 ' N ' ' O ' ' A' ' 33' ' ' CYS . 5.7 m-85 -154.74 134.02 12.52 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.583 ' SG ' ' CB ' ' A' ' 6' ' ' CYS . 75.2 m -96.81 115.37 27.32 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.006 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.9 m -152.72 165.78 34.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.846 0.355 . . . . 0.0 111.243 -178.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.574 ' N ' ' SD ' ' A' ' 30' ' ' MET . 25.6 t-20 -53.96 -31.09 49.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.498 -179.684 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.2 p -151.86 157.4 41.82 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.455 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.463 ' O ' ' CZ2' ' A' ' 22' ' ' TRP . 59.2 m -110.8 144.18 40.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.752 -178.38 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.8 m -58.64 132.02 52.57 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 178.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.434 ' C ' ' H ' ' A' ' 20' ' ' GLN . 52.1 tptt -44.6 -36.59 3.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.035 0.445 . . . . 0.0 110.086 -178.725 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.7 p -75.98 35.82 0.14 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.65 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.434 ' H ' ' C ' ' A' ' 18' ' ' LYS . 76.3 mt-30 -155.72 138.31 15.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.498 -179.007 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.404 HG13 ' HA ' ' A' ' 36' ' ' ALA . 86.3 mt -68.71 135.55 28.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.42 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.463 ' CZ2' ' O ' ' A' ' 16' ' ' CYS . 7.2 m95 -95.55 138.0 33.83 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.228 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.617 ' CB ' HD11 ' A' ' 3' ' ' LEU . . . -156.26 139.23 15.38 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.946 0.403 . . . . 0.0 111.06 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 3' ' ' LEU . 8.7 m -82.92 127.71 33.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.356 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 60.0 p -126.46 119.82 28.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.081 0.467 . . . . 0.0 110.634 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -50.84 -42.08 58.24 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.421 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -58.11 -28.68 61.56 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.774 -0.648 . . . . 0.0 113.306 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 89.7 m -113.8 134.84 54.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.308 0.575 . . . . 0.0 112.085 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.528 ' HG3' ' N ' ' A' ' 30' ' ' MET . 8.1 ptpp? -59.66 -49.45 77.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.311 -0.859 . . . . 0.0 112.226 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.574 ' SD ' ' N ' ' A' ' 14' ' ' ASN . 50.6 mtm -81.96 -130.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.504 -178.218 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -110.8 160.76 16.45 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 120.705 0.288 . . . . 0.0 110.83 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.516 ' SG ' HD11 ' A' ' 34' ' ' LEU . 43.2 t -101.46 126.7 48.28 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 177.275 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.486 ' O ' ' CA ' ' A' ' 10' ' ' GLY . 11.6 m -115.66 132.14 56.72 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.544 -177.44 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.859 HD22 ' CE2' ' A' ' 38' ' ' TRP . 2.3 mp -145.32 148.67 38.51 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 179.353 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -54.04 147.43 43.44 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.263 1.975 . . . . 0.0 111.193 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.404 ' HA ' HG13 ' A' ' 21' ' ' ILE . . . -51.05 -32.24 21.17 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.327 0.584 . . . . 0.0 110.339 179.493 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.5 m -63.08 -28.68 70.24 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.265 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.859 ' CE2' HD22 ' A' ' 34' ' ' LEU . 32.2 t90 -48.7 137.48 12.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.426 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -85.82 87.32 7.39 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.266 0.555 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.611 ' CE2' ' HG3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -77.99 -129.89 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.274 179.887 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.611 ' HG3' ' CE2' ' A' ' 40' ' ' TRP . 29.2 mtpp . . . . . 0 C--O 1.253 1.254 0 CA-C-O 118.436 -0.792 . . . . 0.0 110.246 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.683 HD23 ' N ' ' A' ' 2' ' ' VAL . 5.3 tt . . . . . 0 N--CA 1.478 0.932 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.683 ' N ' HD23 ' A' ' 1' ' ' LEU . 27.2 m -132.56 140.83 46.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.297 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.779 ' CD1' ' HB1' ' A' ' 23' ' ' ALA . 7.0 mp -109.16 135.67 49.9 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.694 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -62.49 -28.81 70.09 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 176.371 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -166.17 142.43 4.96 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 113.413 -1.721 . . . . 0.0 109.026 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.474 ' HA ' HD23 ' A' ' 3' ' ' LEU . 11.1 t -89.6 131.44 39.96 Favored Pre-proline 0 C--N 1.318 -0.791 0 C-N-CA 121.026 -0.27 . . . . 0.0 110.651 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.801 ' HB2' HG22 ' A' ' 9' ' ' ILE . 14.2 Cg_exo -66.16 146.24 81.05 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.552 2.168 . . . . 0.0 111.525 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.505 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -47.11 -30.69 2.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.665 -179.216 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.801 HG22 ' HB2' ' A' ' 7' ' ' PRO . 5.5 tp -59.99 -34.27 55.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.749 -179.095 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -84.79 177.65 51.16 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.796 -0.716 . . . . 0.0 113.929 -178.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.473 ' CE2' ' NE2' ' A' ' 20' ' ' GLN . 22.6 p90 -152.57 144.87 23.96 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.296 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.6 m -91.78 137.54 32.28 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -177.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.4 m -153.51 162.79 40.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.186 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.684 ' HA ' ' SD ' ' A' ' 30' ' ' MET . 6.0 p-10 -51.96 -36.23 48.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.268 0.556 . . . . 0.0 110.238 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 36.2 p -153.74 149.74 27.79 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.425 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.448 ' O ' ' NE1' ' A' ' 22' ' ' TRP . 73.0 m -111.16 144.84 39.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.882 0.372 . . . . 0.0 111.753 -178.756 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.7 t -58.97 148.75 29.44 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -50.47 -38.95 46.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.109 0.48 . . . . 0.0 110.505 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.5 p -56.93 -26.75 59.96 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.821 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.473 ' NE2' ' CE2' ' A' ' 11' ' ' TYR . 46.5 mt-30 -102.16 133.25 47.32 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.185 -179.398 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.531 HD12 ' HE3' ' A' ' 38' ' ' TRP . 80.3 mt -67.05 130.57 32.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.627 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.448 ' NE1' ' O ' ' A' ' 16' ' ' CYS . 11.9 m95 -75.82 53.45 0.74 Allowed 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.449 0.642 . . . . 0.0 110.146 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.779 ' HB1' ' CD1' ' A' ' 3' ' ' LEU . . . -72.26 110.02 6.41 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.059 -179.585 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 51.1 m -85.47 108.81 18.07 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.5 ' OG ' ' HB2' ' A' ' 28' ' ' CYS . 1.9 p -88.07 144.75 26.32 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.441 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -49.71 -57.63 6.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.935 0.398 . . . . 0.0 110.648 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -77.89 41.53 1.96 Allowed Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 121.098 -0.572 . . . . 0.0 112.447 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.5 ' HB2' ' OG ' ' A' ' 25' ' ' SER . 42.2 t -128.37 133.75 48.71 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.138 0.494 . . . . 0.0 110.835 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -64.99 -25.56 67.91 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.578 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.684 ' SD ' ' HA ' ' A' ' 14' ' ' ASN . 46.2 mtm -150.25 -136.36 0.07 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.563 -179.091 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -86.73 143.55 27.5 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.7 t -101.48 138.73 38.09 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 177.296 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.1 m -101.21 132.0 46.92 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-O 120.984 0.421 . . . . 0.0 110.744 -177.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.584 ' CD2' HG23 ' A' ' 9' ' ' ILE . 37.7 mt -142.44 131.66 12.02 Favored Pre-proline 0 C--N 1.319 -0.733 0 CA-C-N 115.063 -0.971 . . . . 0.0 108.717 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -49.02 137.88 28.13 Favored 'Trans proline' 0 N--CA 1.459 -0.502 0 C-N-CA 122.136 1.891 . . . . 0.0 111.545 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.05 -24.81 1.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.207 0.527 . . . . 0.0 110.074 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.7 t -69.09 -36.1 77.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.613 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.563 ' CE2' HD13 ' A' ' 34' ' ' LEU . 41.7 t90 -42.75 139.45 1.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.258 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -88.14 113.86 24.18 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.437 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.614 ' CE2' ' HG3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -78.96 -127.44 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.087 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.614 ' HG3' ' CE2' ' A' ' 40' ' ' TRP . 8.7 mtpm? . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.373 -0.823 . . . . 0.0 110.26 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.483 HD12 ' CE2' ' A' ' 40' ' ' TRP . 26.6 tp . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 121.116 0.484 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.2 t -91.05 137.12 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.375 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.518 ' HB2' ' HB2' ' A' ' 25' ' ' SER . 6.2 mp -116.55 128.18 55.19 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.434 -179.166 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.498 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -61.36 -26.87 68.11 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 177.095 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -169.47 147.6 3.63 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 113.627 -1.624 . . . . 0.0 109.177 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.78 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 34.0 t -73.25 114.72 33.98 Favored Pre-proline 0 C--N 1.313 -0.982 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.527 -179.456 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.466 ' HD2' HD21 ' A' ' 34' ' ' LEU . 82.2 Cg_exo -46.15 138.08 13.19 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 122.355 2.036 . . . . 0.0 111.422 -179.443 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.493 ' NZ ' ' HB3' ' A' ' 8' ' ' LYS . 4.6 ttpm? -42.23 -38.49 1.78 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.213 -179.038 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.1 tt -64.72 -37.91 81.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.541 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.09 -168.79 4.68 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.838 -0.696 . . . . 0.0 113.562 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -152.48 141.35 21.08 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.7 m -94.79 114.23 26.09 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 178.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.458 ' OG ' ' SG ' ' A' ' 16' ' ' CYS . 3.3 p -152.05 157.72 42.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.151 0.501 . . . . 0.0 112.044 -178.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.429 ' HA ' ' HB3' ' A' ' 30' ' ' MET . 1.7 m120 -55.89 -41.67 74.83 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.11 -0.95 . . . . 0.0 112.096 -178.652 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.502 HG22 ' CH2' ' A' ' 22' ' ' TRP . 30.6 p -151.73 158.18 43.03 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.646 -178.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.458 ' SG ' ' OG ' ' A' ' 13' ' ' SER . 82.8 m -154.24 156.1 36.44 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -178.206 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.3 m -50.95 139.13 17.91 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.196 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.479 ' HD3' ' O ' ' A' ' 18' ' ' LYS . 8.9 tmtt? -46.94 -43.43 19.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.088 0.471 . . . . 0.0 110.155 -179.275 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.502 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 0.9 OUTLIER -46.69 -39.77 12.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.17 179.337 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.435 ' HA ' ' O ' ' A' ' 34' ' ' LEU . 88.1 mt-30 -81.13 131.75 35.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.43 178.073 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.697 HD12 ' HE3' ' A' ' 38' ' ' TRP . 69.2 mt -73.26 124.37 30.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 C-N-CA 121.199 -0.201 . . . . 0.0 110.692 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.502 ' CH2' HG22 ' A' ' 15' ' ' THR . 10.8 m0 -79.14 52.57 1.32 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 178.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.5 ' O ' ' HB3' ' A' ' 32' ' ' CYS . . . -62.28 133.68 55.47 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.051 -179.232 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 3' ' ' LEU . 97.5 m -82.96 122.63 28.53 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.109 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.518 ' HB2' ' HB2' ' A' ' 3' ' ' LEU . 33.5 t -132.27 132.76 43.34 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.7 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 46.2 m170 -57.07 -34.29 68.13 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -79.02 37.29 1.94 Allowed Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.441 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.78 ' SG ' ' HB2' ' A' ' 6' ' ' CYS . 91.8 m -154.68 126.36 7.53 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -59.56 -42.5 92.55 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.429 ' HB3' ' HA ' ' A' ' 14' ' ' ASN . 25.2 mmt -109.26 -139.1 0.38 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.465 -1.243 . . . . 0.0 109.837 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -85.9 156.4 20.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.742 0.306 . . . . 0.0 110.816 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.5 ' HB3' ' O ' ' A' ' 23' ' ' ALA . 19.3 t -101.09 114.77 29.02 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 176.324 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.6 m -102.75 132.93 48.56 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.43 -176.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.899 HD22 ' CE2' ' A' ' 38' ' ' TRP . 1.5 mp -142.13 141.59 21.98 Favored Pre-proline 0 C--N 1.321 -0.645 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 179.663 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -45.1 145.58 3.18 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.602 2.201 . . . . 0.0 112.029 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' A' ' 19' ' ' THR . . . -52.08 -34.67 44.89 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.165 0.507 . . . . 0.0 109.819 179.233 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.1 m -60.99 -25.05 66.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.692 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.899 ' CE2' HD22 ' A' ' 34' ' ' LEU . 29.5 t90 -48.37 137.96 10.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.417 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -95.78 120.57 36.28 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.534 ' CG ' ' N ' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -82.42 -132.42 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 -179.639 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.534 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 28.4 mtpp . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.362 -0.828 . . . . 0.0 110.647 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.655 HD23 ' C ' ' A' ' 1' ' ' LEU . 4.7 tt . . . . . 0 N--CA 1.478 0.968 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.476 ' N ' HD23 ' A' ' 1' ' ' LEU . 64.7 t -132.46 136.65 55.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.499 ' CD1' HD21 ' A' ' 1' ' ' LEU . 7.2 mp -104.64 133.55 49.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.5 179.05 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -53.24 -32.83 50.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.774 0.797 . . . . 0.0 109.158 177.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -171.33 145.5 2.16 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.317 -1.311 . . . . 0.0 109.493 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.486 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 14.5 t -71.79 118.48 67.05 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.713 -178.474 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.44 ' HD2' HD11 ' A' ' 34' ' ' LEU . 52.6 Cg_exo -54.84 133.01 55.29 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.689 2.259 . . . . 0.0 111.396 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.513 ' HD2' ' H ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -44.97 -35.04 2.69 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.301 -0.409 . . . . 0.0 112.078 -178.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.402 HG22 ' HB2' ' A' ' 7' ' ' PRO . 13.0 tt -59.94 -37.33 71.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.843 0.354 . . . . 0.0 110.586 -179.592 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.523 ' CA ' HD23 ' A' ' 34' ' ' LEU . . . -76.28 -162.57 13.62 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.895 -0.669 . . . . 0.0 113.045 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.403 ' CD1' ' C ' ' A' ' 10' ' ' GLY . 8.8 m-85 -154.35 147.3 24.52 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 55.7 m -93.06 121.74 34.72 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.1 m -151.38 157.24 42.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.083 0.468 . . . . 0.0 111.705 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -59.16 -28.0 66.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.078 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 38.1 p -149.4 145.34 26.91 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.307 -179.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 77.0 m -110.93 144.41 40.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.993 0.425 . . . . 0.0 111.244 -178.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.3 m -59.49 146.76 39.19 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.861 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.428 ' C ' ' H ' ' A' ' 20' ' ' GLN . 96.5 mttt -46.62 -42.91 16.92 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.773 0.32 . . . . 0.0 110.83 -179.248 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.4 m -78.07 37.95 0.27 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.249 0.547 . . . . 0.0 110.791 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.453 ' HA ' ' O ' ' A' ' 34' ' ' LEU . 84.5 mt-30 -153.24 140.56 19.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.652 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.772 HD12 ' HE3' ' A' ' 38' ' ' TRP . 63.2 mt -75.24 127.45 36.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.677 -0.238 . . . . 0.0 110.828 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 26.2 m95 -78.26 52.38 1.11 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.241 0.543 . . . . 0.0 109.72 178.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.465 ' O ' ' HB3' ' A' ' 32' ' ' CYS . . . -76.43 127.85 33.65 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.508 -179.149 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 p -83.94 122.86 29.31 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.501 ' OG ' ' SG ' ' A' ' 28' ' ' CYS . 16.1 p -102.06 150.47 23.21 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.103 0.477 . . . . 0.0 111.846 -178.746 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.473 ' O ' ' ND1' ' A' ' 26' ' ' HIS . 61.4 t-80 -83.66 39.67 0.69 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 178.797 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -178.33 37.79 0.08 OUTLIER Glycine 0 CA--C 1.52 0.38 0 C-N-CA 120.48 -0.867 . . . . 0.0 113.306 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.501 ' SG ' ' OG ' ' A' ' 25' ' ' SER . 9.1 m -131.45 142.84 50.08 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.566 0.222 . . . . 0.0 110.578 179.087 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -49.73 -35.45 22.18 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 93.6 mmm -144.04 -119.13 0.09 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.653 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -85.8 159.04 19.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.733 0.302 . . . . 0.0 110.737 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.465 ' HB3' ' O ' ' A' ' 23' ' ' ALA . 34.5 t -102.17 123.08 45.39 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 176.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.427 ' O ' ' CA ' ' A' ' 10' ' ' GLY . 41.8 m -101.96 131.04 48.59 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.107 -178.298 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.688 HD13 ' CE2' ' A' ' 38' ' ' TRP . 26.4 mt -142.11 137.55 15.94 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.45 -179.454 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -45.05 138.9 8.76 Favored 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 122.633 2.222 . . . . 0.0 111.778 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.11 -30.83 11.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.186 0.517 . . . . 0.0 110.114 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.9 t -61.54 -34.69 75.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.297 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.772 ' HE3' HD12 ' A' ' 21' ' ' ILE . 44.0 t90 -48.66 125.86 10.76 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.689 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.52 ' O ' ' HD2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -85.97 131.46 34.28 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.294 0.568 . . . . 0.0 109.556 178.743 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.577 ' CG ' ' N ' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -84.39 -131.27 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.247 -178.174 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.577 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 15.4 ptmm? . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.528 -0.748 . . . . 0.0 110.752 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.621 HD23 ' C ' ' A' ' 1' ' ' LEU . 5.0 tt . . . . . 0 N--CA 1.479 0.978 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.9 t -133.36 128.44 55.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.082 0.468 . . . . 0.0 111.556 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.466 HD12 ' CH2' ' A' ' 40' ' ' TRP . 6.8 mp -102.67 147.27 27.03 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.107 179.282 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -71.27 -33.58 69.9 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 177.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 22.9 p90 -163.89 152.1 13.11 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.645 -1.161 . . . . 0.0 109.223 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.614 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 37.3 t -72.6 116.89 54.29 Favored Pre-proline 0 C--N 1.321 -0.649 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -50.26 142.43 28.91 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.784 2.323 . . . . 0.0 112.461 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -47.85 -41.23 23.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.756 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -60.23 -35.61 63.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.28 0.562 . . . . 0.0 109.986 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.87 -178.44 52.36 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.309 -0.859 . . . . 0.0 112.918 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.511 ' CE1' ' SG ' ' A' ' 33' ' ' CYS . 32.7 p90 -154.9 137.63 15.27 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 178.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.614 ' SG ' ' HB2' ' A' ' 6' ' ' CYS . 84.7 m -92.92 135.46 34.13 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.372 0.606 . . . . 0.0 111.892 -177.659 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.7 m -152.13 156.06 39.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.933 -1.031 . . . . 0.0 109.077 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -53.73 -24.74 15.82 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.975 0.417 . . . . 0.0 110.434 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.1 p -151.1 135.86 17.24 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.449 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 81.9 m -111.78 146.86 36.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.415 -178.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.8 m -53.84 140.23 30.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.255 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.567 ' C ' ' H ' ' A' ' 20' ' ' GLN . 18.3 ptpt -51.59 -37.51 50.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.911 0.386 . . . . 0.0 110.512 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.5 t -70.01 17.31 0.06 Allowed 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.071 0.463 . . . . 0.0 110.49 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.567 ' H ' ' C ' ' A' ' 18' ' ' LYS . 74.2 mt-30 -139.27 145.54 39.3 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.588 179.476 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.674 HD12 ' HE3' ' A' ' 38' ' ' TRP . 68.2 mt -74.8 125.86 34.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.738 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -78.21 52.42 1.11 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 178.081 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.1 127.23 31.33 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.213 -0.903 . . . . 0.0 112.14 -178.31 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.5 m -74.91 136.1 41.43 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 177.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.517 ' OG ' ' HB2' ' A' ' 28' ' ' CYS . 3.4 p -132.43 130.86 41.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.287 0.565 . . . . 0.0 111.955 -178.684 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.456 ' C ' ' H ' ' A' ' 28' ' ' CYS . 63.1 m-70 -55.48 -50.33 70.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.513 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -73.29 28.76 0.83 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.44 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.517 ' HB2' ' OG ' ' A' ' 25' ' ' SER . 38.8 m -155.77 179.59 9.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.824 0.345 . . . . 0.0 110.791 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.724 ' HB3' ' SD ' ' A' ' 30' ' ' MET . 96.9 mttt -89.72 -121.51 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -178.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.724 ' SD ' ' HB3' ' A' ' 29' ' ' LYS . 2.4 mpp? -58.81 -35.98 73.74 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 -176.577 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.502 ' CG ' ' O ' ' A' ' 30' ' ' MET . 6.6 m-85 -165.28 166.3 18.87 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.814 0.816 . . . . 0.0 113.171 -179.303 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.503 ' HB2' ' OG ' ' A' ' 25' ' ' SER . 3.5 t -121.38 142.44 49.99 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 106.479 -1.674 . . . . 0.0 106.479 176.35 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.511 ' SG ' ' CE1' ' A' ' 11' ' ' TYR . 34.5 m -103.34 130.37 50.61 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.188 -178.44 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.667 HD13 ' CE2' ' A' ' 38' ' ' TRP . 18.2 mt -146.05 126.78 7.23 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.476 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.472 ' HD2' HD12 ' A' ' 9' ' ' ILE . 42.8 Cg_exo -53.44 145.4 46.4 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.204 1.936 . . . . 0.0 111.292 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.09 -32.4 6.75 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.063 0.459 . . . . 0.0 110.086 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.5 p -61.47 -31.76 71.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.147 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.674 ' HE3' HD12 ' A' ' 21' ' ' ILE . 45.8 t90 -49.85 134.81 20.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.693 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -88.98 117.04 27.71 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.91 0.386 . . . . 0.0 110.064 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.645 ' CE2' ' HG3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -77.67 -127.98 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.093 -179.841 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.645 ' HG3' ' CE2' ' A' ' 40' ' ' TRP . 40.0 mtmt . . . . . 0 C--O 1.252 1.19 0 CA-C-O 118.09 -0.957 . . . . 0.0 109.876 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.522 HD12 ' CE2' ' A' ' 40' ' ' TRP . 40.4 tp . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 121.335 0.588 . . . . 0.0 110.109 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 61.3 t -94.11 136.09 26.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.718 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.591 ' CD1' ' HB1' ' A' ' 23' ' ' ALA . 9.7 mp -116.61 140.01 49.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.774 179.121 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.434 ' CD ' ' H ' ' A' ' 4' ' ' LYS . 11.8 mptt -59.04 -35.74 73.83 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.689 0.756 . . . . 0.0 109.109 178.52 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -161.49 155.47 22.17 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.588 -1.187 . . . . 0.0 109.689 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 35.0 t -72.07 123.1 88.99 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 -179.412 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.694 ' HD2' ' SG ' ' A' ' 32' ' ' CYS . 34.1 Cg_exo -59.35 135.63 66.61 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.632 2.222 . . . . 0.0 112.02 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -49.34 -32.51 11.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.882 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.501 HG23 ' CD2' ' A' ' 34' ' ' LEU . 6.5 tp -59.63 -36.42 65.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.703 0.287 . . . . 0.0 111.039 -179.309 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.597 ' HA3' HD23 ' A' ' 34' ' ' LEU . . . -96.71 -156.65 30.97 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.865 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.425 ' CD1' ' HB2' ' A' ' 33' ' ' CYS . 1.9 p90 -155.35 146.6 22.74 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 178.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.9 t -93.65 134.56 35.83 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.174 0.511 . . . . 0.0 111.505 -177.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.5 m -152.17 160.65 43.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.361 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.688 ' HA ' ' SD ' ' A' ' 30' ' ' MET . 18.8 p30 -55.22 -32.24 62.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.21 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 59.6 p -150.46 144.31 25.31 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.437 ' O ' ' NE1' ' A' ' 22' ' ' TRP . 62.8 m -111.7 143.89 41.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.562 -178.564 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.0 t -58.31 145.82 36.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.785 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -43.2 -45.64 5.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.689 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.7 t -58.0 -36.4 72.6 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.232 0.539 . . . . 0.0 109.916 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.401 ' NE2' ' HB3' ' A' ' 33' ' ' CYS . 78.0 mt-30 -77.52 139.23 39.55 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.009 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.534 HD12 ' HE3' ' A' ' 38' ' ' TRP . 74.4 mt -76.58 127.57 37.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.105 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.437 ' NE1' ' O ' ' A' ' 16' ' ' CYS . 14.7 m95 -75.02 56.76 0.78 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.228 0.537 . . . . 0.0 110.55 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.591 ' HB1' ' CD1' ' A' ' 3' ' ' LEU . . . -66.95 109.16 2.84 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.493 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.7 p -74.17 107.25 6.24 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.499 ' HA ' ' HB2' ' A' ' 3' ' ' LEU . 56.2 p -94.32 110.08 21.86 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.687 -179.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.494 ' C ' ' H ' ' A' ' 28' ' ' CYS . 1.1 t60 -51.57 -40.56 59.98 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.135 0.493 . . . . 0.0 109.861 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.69 24.74 0.29 Allowed Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.679 -0.691 . . . . 0.0 113.057 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.494 ' H ' ' C ' ' A' ' 26' ' ' HIS . 42.1 t -154.84 151.62 28.84 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.333 0.587 . . . . 0.0 111.265 178.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.455 ' HG3' ' HG2' ' A' ' 30' ' ' MET . 15.2 ptpt -64.85 -47.27 78.54 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.823 -1.081 . . . . 0.0 111.346 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.688 ' SD ' ' HA ' ' A' ' 14' ' ' ASN . 4.2 mmt -102.17 -158.33 0.66 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.233 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -85.86 160.8 19.34 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-O 120.781 0.324 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.694 ' SG ' ' HD2' ' A' ' 7' ' ' PRO . 50.7 t -102.08 127.57 48.92 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 177.687 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.425 ' HB2' ' CD1' ' A' ' 11' ' ' TYR . 36.4 m -102.66 130.44 49.57 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.983 -179.077 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.622 HD13 ' CE2' ' A' ' 38' ' ' TRP . 10.0 mt -141.07 143.05 29.75 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.895 -179.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -55.77 144.67 75.56 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.269 1.979 . . . . 0.0 111.058 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.7 -27.4 11.62 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.255 0.55 . . . . 0.0 110.02 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.6 t -64.43 -29.19 70.25 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.065 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.622 ' CE2' HD13 ' A' ' 34' ' ' LEU . 42.7 t90 -54.29 140.97 31.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.166 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -97.58 127.35 43.47 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.59 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.524 ' CG ' ' N ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -73.61 -132.27 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.445 -179.208 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.524 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 63.1 mtpt . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.499 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.65 HD12 ' NE1' ' A' ' 40' ' ' TRP . 25.6 tp . . . . . 0 N--CA 1.483 1.183 0 CA-C-O 120.918 0.39 . . . . 0.0 110.767 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.2 m -122.28 129.83 75.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.953 0.406 . . . . 0.0 110.821 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.759 HD13 ' HB1' ' A' ' 23' ' ' ALA . 5.1 mp -94.86 161.58 14.1 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.805 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.488 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 3.0 mppt? -76.67 -34.02 58.25 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 177.63 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -158.26 152.58 24.34 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.515 -1.22 . . . . 0.0 109.188 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.428 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 16.5 t -73.59 117.69 62.81 Favored Pre-proline 0 C--N 1.318 -0.792 0 CA-C-O 120.508 0.194 . . . . 0.0 110.545 -179.15 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.666 ' HB2' HG22 ' A' ' 9' ' ' ILE . 13.3 Cg_exo -68.53 134.75 31.56 Favored 'Trans proline' 0 C--O 1.236 0.386 0 C-N-CA 122.648 2.232 . . . . 0.0 111.72 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.492 ' HD2' ' N ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -57.6 -23.22 49.69 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.409 -179.433 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.666 HG22 ' HB2' ' A' ' 7' ' ' PRO . 6.4 tp -60.24 -31.97 49.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.989 0.423 . . . . 0.0 110.324 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.643 ' HA3' HD23 ' A' ' 34' ' ' LEU . . . -95.36 -146.66 21.27 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.966 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.431 ' CD1' ' C ' ' A' ' 10' ' ' GLY . 16.2 m-85 -154.2 131.84 11.42 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.415 ' HB2' ' SG ' ' A' ' 6' ' ' CYS . 48.5 t -96.55 126.63 41.87 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.192 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.7 p -152.62 164.98 36.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.916 0.388 . . . . 0.0 111.746 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.441 ' HA ' ' HB3' ' A' ' 30' ' ' MET . 4.7 p-10 -51.89 -31.82 29.91 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.76 -179.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 31.7 p -147.39 149.88 33.61 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.723 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 99.5 m -110.82 143.07 41.95 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.337 0.589 . . . . 0.0 112.278 -178.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.6 p -61.9 145.17 53.62 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.311 -0.858 . . . . 0.0 109.69 179.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm -46.8 -37.94 9.42 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.046 0.45 . . . . 0.0 110.666 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.7 m -64.59 -37.35 87.27 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.122 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -87.85 138.47 31.43 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.166 0.508 . . . . 0.0 112.029 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.515 HD12 ' HE3' ' A' ' 38' ' ' TRP . 66.1 mt -69.02 131.89 33.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.104 178.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 19.2 m95 -77.36 52.23 0.93 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.349 0.595 . . . . 0.0 109.951 178.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.759 ' HB1' HD13 ' A' ' 3' ' ' LEU . . . -67.72 119.88 13.18 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.757 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.0 m -84.1 108.52 17.07 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.416 ' HA ' ' HB2' ' A' ' 3' ' ' LEU . 30.7 p -87.01 129.18 34.99 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.734 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -75.49 42.28 0.21 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.402 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -166.66 26.29 0.16 Allowed Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.301 -0.952 . . . . 0.0 113.241 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.6 t -146.43 145.48 30.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.258 0.552 . . . . 0.0 110.955 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.8 pttm -53.75 -48.52 69.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.189 -0.914 . . . . 0.0 112.726 -178.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.441 ' HB3' ' HA ' ' A' ' 14' ' ' ASN . 26.2 mmt -107.22 -150.85 0.45 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.758 -0.201 . . . . 0.0 111.306 -178.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -86.62 155.12 20.56 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.57 ' SG ' ' HD2' ' A' ' 7' ' ' PRO . 33.7 t -101.52 121.53 42.14 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 177.153 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.428 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 7.7 m -102.32 132.22 48.43 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.064 -178.132 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.643 HD23 ' HA3' ' A' ' 10' ' ' GLY . 17.7 mt -139.67 142.86 32.93 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.269 -179.071 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -49.75 140.66 29.45 Favored 'Trans proline' 0 N--CA 1.461 -0.426 0 C-N-CA 122.514 2.143 . . . . 0.0 111.565 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.92 -35.57 33.92 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.347 0.594 . . . . 0.0 109.747 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.5 t -65.34 -26.5 68.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.92 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.598 ' CE2' HD13 ' A' ' 34' ' ' LEU . 49.2 t90 -50.21 131.49 23.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.881 0.372 . . . . 0.0 110.169 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.497 ' NZ ' ' HB3' ' A' ' 39' ' ' LYS . 4.1 mmmp? -80.29 116.69 20.51 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.8 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.65 ' NE1' HD12 ' A' ' 1' ' ' LEU . 0.7 OUTLIER -90.07 -133.62 0.11 Allowed 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 178.618 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.521 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 6.8 mtmp? . . . . . 0 C--O 1.246 0.909 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.559 HD12 ' NE1' ' A' ' 40' ' ' TRP . 29.7 tp . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.948 0.404 . . . . 0.0 110.684 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.423 ' O ' HG13 ' A' ' 2' ' ' VAL . 11.1 p -109.11 124.66 65.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.078 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.766 ' CD1' ' HB1' ' A' ' 23' ' ' ALA . 5.2 mp -96.98 139.21 33.34 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.855 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.438 ' HB2' ' CD1' ' A' ' 5' ' ' TYR . 0.8 OUTLIER -62.12 -34.86 77.14 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 177.258 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.438 ' CD1' ' HB2' ' A' ' 4' ' ' LYS . 9.0 p90 -156.16 140.33 16.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.522 -1.217 . . . . 0.0 110.821 -178.436 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.479 ' SG ' ' SG ' ' A' ' 12' ' ' CYS . 53.2 t -76.87 126.23 85.98 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.18 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.424 ' HD2' HD11 ' A' ' 34' ' ' LEU . 35.6 Cg_exo -57.62 136.46 75.83 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 122.205 1.937 . . . . 0.0 110.969 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.556 ' NZ ' ' HA ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -49.94 -38.38 36.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.654 0.264 . . . . 0.0 111.068 -179.463 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.3 tt -60.15 -35.72 63.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.228 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.433 ' CA ' ' O ' ' A' ' 33' ' ' CYS . . . -71.08 177.5 35.34 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.692 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -138.13 130.31 28.82 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.496 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 74.7 m -95.27 120.79 36.11 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.108 0.48 . . . . 0.0 110.859 -179.375 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.1 t -152.8 172.46 16.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.468 -179.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.471 ' HA ' ' HB3' ' A' ' 30' ' ' MET . 19.0 t-20 -63.15 -27.75 69.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.034 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 55.4 p -144.95 142.77 30.12 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.961 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.4 m -110.89 144.25 40.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.244 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.2 t -52.96 143.74 16.45 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.445 ' HE3' ' HA ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -49.3 -39.21 30.19 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.04 0.448 . . . . 0.0 109.809 -179.755 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.6 t -78.27 31.63 0.18 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.807 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.438 ' HA ' ' O ' ' A' ' 34' ' ' LEU . 84.6 mt-30 -148.18 137.69 22.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.42 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.552 HD12 ' HE3' ' A' ' 38' ' ' TRP . 75.0 mt -72.74 124.29 29.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.604 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 12.8 m95 -78.2 55.16 1.47 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.103 0.477 . . . . 0.0 110.163 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.766 ' HB1' ' CD1' ' A' ' 3' ' ' LEU . . . -72.77 128.06 34.41 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.167 -179.403 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 51.8 m -83.98 109.35 17.56 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.946 0.403 . . . . 0.0 110.113 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.471 ' OG ' ' HB2' ' A' ' 6' ' ' CYS . 16.9 p -95.16 135.77 36.32 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.077 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -55.76 -43.01 76.28 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.835 0.35 . . . . 0.0 110.88 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -79.26 31.53 2.08 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.653 -0.784 . . . . 0.0 113.656 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.423 ' HB2' ' OG ' ' A' ' 25' ' ' SER . 80.0 m -154.42 140.53 18.43 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.974 0.416 . . . . 0.0 110.597 179.184 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.792 ' HB2' ' SD ' ' A' ' 30' ' ' MET . 62.1 mttt -63.83 -66.82 0.49 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.025 -179.177 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.792 ' SD ' ' HB2' ' A' ' 29' ' ' LYS . 2.9 mpp? -79.02 -128.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.493 -178.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.496 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 43.1 m-85 -105.06 158.02 16.84 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 120.683 0.278 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.471 ' HB2' ' OG ' ' A' ' 25' ' ' SER . 15.3 t -101.97 129.98 48.38 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 176.152 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.433 ' O ' ' CA ' ' A' ' 10' ' ' GLY . 28.3 m -101.69 131.73 47.78 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 -177.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.666 HD13 ' CE2' ' A' ' 38' ' ' TRP . 36.2 mt -145.61 140.28 15.65 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.41 -178.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -54.74 144.89 63.27 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.671 2.248 . . . . 0.0 111.755 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.57 -33.27 14.58 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.993 0.425 . . . . 0.0 111.2 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.4 t -64.07 -28.43 69.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.292 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.666 ' CE2' HD13 ' A' ' 34' ' ' LEU . 45.6 t90 -49.51 135.44 18.11 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.946 0.403 . . . . 0.0 111.324 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -84.8 123.51 30.52 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.126 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.559 ' NE1' HD12 ' A' ' 1' ' ' LEU . 0.0 OUTLIER -83.9 -122.31 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.98 179.889 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.549 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 20.2 ptmt . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.79 -0.624 . . . . 0.0 110.113 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.533 ' HG ' ' HA ' ' A' ' 23' ' ' ALA . 41.9 tp . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 121.345 0.593 . . . . 0.0 110.676 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 93.5 t -101.07 142.01 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.495 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.725 HD11 ' HB1' ' A' ' 23' ' ' ALA . 37.3 mt -128.12 157.4 40.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.08 -179.088 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -67.63 -39.97 84.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.836 0.826 . . . . 0.0 109.161 178.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.553 ' C ' ' HB2' ' A' ' 25' ' ' SER . 12.9 p90 -162.26 160.32 26.71 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.385 -1.279 . . . . 0.0 109.12 -178.483 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 33.5 t -71.13 115.06 32.76 Favored Pre-proline 0 C--N 1.32 -0.675 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.563 ' HD2' ' SG ' ' A' ' 32' ' ' CYS . 50.2 Cg_exo -53.77 133.22 53.31 Favored 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 122.326 2.017 . . . . 0.0 111.547 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -43.05 -41.91 3.68 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.1 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.403 HG23 ' N ' ' A' ' 10' ' ' GLY . 10.7 tt -61.79 -40.74 88.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.053 0.454 . . . . 0.0 110.723 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.57 ' CA ' HD23 ' A' ' 34' ' ' LEU . . . -77.89 143.34 27.6 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.827 -0.624 . . . . 0.0 113.416 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.471 ' CD1' ' N ' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -107.18 132.31 53.18 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.21 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 16.9 t -94.42 136.0 35.22 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.023 -177.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.6 m -153.47 171.0 19.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.916 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.4 ' HA ' ' HB3' ' A' ' 30' ' ' MET . 16.1 p30 -57.79 -32.33 67.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.31 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.472 ' HB ' ' CH2' ' A' ' 22' ' ' TRP . 40.4 p -151.89 150.16 29.76 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.09 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.568 ' HB2' ' CD1' ' A' ' 22' ' ' TRP . 56.3 m -109.6 136.47 48.92 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.205 0.526 . . . . 0.0 112.07 -177.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.0 m -60.13 145.72 45.82 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.356 178.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.449 ' C ' ' H ' ' A' ' 20' ' ' GLN . 27.2 mtpp -43.53 -41.28 4.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.106 0.479 . . . . 0.0 110.723 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.8 t -74.49 28.56 0.08 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.048 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.449 ' H ' ' C ' ' A' ' 18' ' ' LYS . 83.3 mt-30 -153.95 135.57 14.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.038 0.447 . . . . 0.0 110.221 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.456 HG22 HD21 ' A' ' 1' ' ' LEU . 80.9 mt -72.89 126.02 32.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.442 -179.281 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.568 ' CD1' ' HB2' ' A' ' 16' ' ' CYS . 17.0 m95 -77.09 59.76 1.76 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.096 0.474 . . . . 0.0 109.752 178.692 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.725 ' HB1' HD11 ' A' ' 3' ' ' LEU . . . -73.04 127.09 31.56 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -178.446 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 3' ' ' LEU . 89.8 m -85.57 131.74 34.3 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.439 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.553 ' HB2' ' C ' ' A' ' 5' ' ' TYR . 62.6 p -130.9 135.9 48.11 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -178.356 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -75.74 55.14 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.333 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -156.02 -33.69 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.588 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.0 t -113.05 144.25 42.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.905 0.384 . . . . 0.0 111.314 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.4 pttp -52.93 -64.29 0.87 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.471 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.4 ' HB3' ' HA ' ' A' ' 14' ' ' ASN . 22.1 mmt -78.45 -148.61 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.483 -178.522 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -89.17 153.19 21.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.601 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.563 ' SG ' ' HD2' ' A' ' 7' ' ' PRO . 50.1 t -100.81 121.72 42.18 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 176.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.411 ' HB2' ' HD1' ' A' ' 11' ' ' TYR . 5.4 m -102.48 131.43 49.18 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.153 0.502 . . . . 0.0 110.67 -177.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.66 HD13 ' CE3' ' A' ' 38' ' ' TRP . 14.5 mt -125.12 142.08 40.34 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.232 -179.328 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 34' ' ' LEU . 31.5 Cg_exo -56.86 143.28 91.78 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 122.381 2.054 . . . . 0.0 111.162 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.25 -34.0 14.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.848 0.356 . . . . 0.0 111.174 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.2 m -64.67 -28.51 69.66 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.295 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.66 ' CE3' HD13 ' A' ' 34' ' ' LEU . 51.0 t90 -53.58 129.19 31.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.392 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -86.01 119.4 26.27 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.901 0.381 . . . . 0.0 110.286 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.55 ' CG ' ' N ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER -86.17 -124.21 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.2 -179.878 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.55 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 14.8 ptmm? . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.847 -0.597 . . . . 0.0 109.739 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.551 HD12 ' CE2' ' A' ' 40' ' ' TRP . 46.4 tp . . . . . 0 N--CA 1.482 1.157 0 CA-C-O 120.92 0.391 . . . . 0.0 110.668 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.7 m -96.56 128.87 47.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.133 0.492 . . . . 0.0 111.819 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.513 HD12 ' CH2' ' A' ' 40' ' ' TRP . 6.0 mp -97.77 139.52 33.53 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.193 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.466 ' CD ' ' H ' ' A' ' 4' ' ' LYS . 2.0 mptp? -59.79 -35.54 74.87 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 177.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 49.4 p90 -164.96 151.38 10.38 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 113.644 -1.616 . . . . 0.0 108.844 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.0 t -73.05 116.23 48.52 Favored Pre-proline 0 C--N 1.314 -0.947 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.344 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.64 ' HG2' HD21 ' A' ' 34' ' ' LEU . 31.7 Cg_exo -58.76 147.23 89.32 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.298 1.999 . . . . 0.0 110.312 179.428 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -44.73 -46.18 10.27 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.65 0.262 . . . . 0.0 111.355 -178.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.768 HG23 HD23 ' A' ' 34' ' ' LEU . 16.0 tt -63.03 -33.41 60.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.029 0.442 . . . . 0.0 110.568 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.489 ' HA2' ' HG ' ' A' ' 34' ' ' LEU . . . -63.28 121.89 25.58 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.242 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.533 ' CE1' ' NE2' ' A' ' 20' ' ' GLN . 8.7 m-85 -88.14 130.46 35.03 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.672 ' SG ' ' N ' ' A' ' 29' ' ' LYS . 42.4 t -96.46 112.06 23.94 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 178.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.446 ' C ' ' HB2' ' A' ' 30' ' ' MET . 49.7 m -151.73 157.59 42.23 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.941 0.401 . . . . 0.0 111.549 -178.194 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.41 ' HA ' ' HB3' ' A' ' 30' ' ' MET . 24.0 t-20 -54.79 -29.82 55.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.158 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.4 p -151.84 146.79 25.94 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.491 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.2 m -120.61 152.52 38.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.084 0.468 . . . . 0.0 111.952 -178.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.0 p -58.01 140.58 52.07 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.253 177.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.497 ' NZ ' ' HB3' ' A' ' 18' ' ' LYS . 7.5 mtpm? -47.72 -32.88 6.29 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.857 0.36 . . . . 0.0 111.02 -178.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.5 p -61.74 -40.23 94.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.365 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.533 ' NE2' ' CE1' ' A' ' 11' ' ' TYR . 82.2 mt-30 -85.26 131.29 34.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.934 0.397 . . . . 0.0 111.255 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.456 HD12 ' HE3' ' A' ' 38' ' ' TRP . 76.2 mt -66.24 123.64 19.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.348 -179.421 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.747 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 11.1 m0 -73.27 69.58 1.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 178.438 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.445 ' HB1' ' CD1' ' A' ' 3' ' ' LEU . . . -83.47 133.46 34.9 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.42 0.629 . . . . 0.0 112.454 -178.412 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.4 p -76.4 136.32 39.47 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.433 ' OG ' ' HB2' ' A' ' 32' ' ' CYS . 3.5 p -129.49 138.97 51.69 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.69 0.281 . . . . 0.0 111.285 -179.146 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -77.98 43.59 0.44 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.037 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 171.4 50.58 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.75 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.473 ' SG ' ' O ' ' A' ' 30' ' ' MET . 5.2 t -137.66 134.53 35.56 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.923 0.392 . . . . 0.0 110.309 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.672 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 53.8 mttp -53.17 -33.6 53.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.155 0.502 . . . . 0.0 110.146 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.488 ' SD ' ' CB ' ' A' ' 29' ' ' LYS . 2.3 mpt? -144.36 -125.78 0.08 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.517 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -86.84 138.22 31.75 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 121.127 -0.229 . . . . 0.0 110.509 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.433 ' HB2' ' OG ' ' A' ' 25' ' ' SER . 34.2 t -101.91 128.83 48.14 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 176.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.747 ' SG ' ' HA ' ' A' ' 22' ' ' TRP . 4.8 m -145.66 144.68 30.56 Favored 'General case' 0 C--N 1.313 -0.987 0 C-N-CA 119.121 -1.032 . . . . 0.0 112.789 -177.044 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.768 HD23 HG23 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -130.4 153.95 81.44 Favored Pre-proline 0 N--CA 1.444 -0.744 0 CA-C-N 114.412 -1.267 . . . . 0.0 108.762 179.852 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -45.48 147.49 2.68 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.38 2.054 . . . . 0.0 111.35 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.78 -34.73 41.04 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.038 0.447 . . . . 0.0 110.152 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.3 t -59.33 -24.66 63.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.638 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.75 ' NE1' HD22 ' A' ' 34' ' ' LEU . 37.5 t90 -50.91 139.32 17.43 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.368 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -88.59 120.41 29.95 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.076 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.623 ' CD2' ' HG3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -82.91 -134.04 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.832 -179.811 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.623 ' HG3' ' CD2' ' A' ' 40' ' ' TRP . 7.9 mtmp? . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.102 -0.951 . . . . 0.0 110.063 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.602 HD12 ' CZ2' ' A' ' 40' ' ' TRP . 29.3 tp . . . . . 0 N--CA 1.481 1.124 0 CA-C-O 120.865 0.364 . . . . 0.0 110.723 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 97.6 t -96.62 144.65 10.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.584 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.617 HD11 ' CB ' ' A' ' 23' ' ' ALA . 27.7 mt -134.9 142.28 46.53 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.334 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.519 ' CD ' ' H ' ' A' ' 4' ' ' LYS . 9.1 mptt -60.3 -41.28 93.08 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.858 0.837 . . . . 0.0 109.082 178.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -161.99 149.53 14.37 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.568 -1.197 . . . . 0.0 109.337 -179.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.583 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . 18.8 t -72.24 120.91 83.06 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-O 120.708 0.289 . . . . 0.0 110.553 -179.023 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.507 ' HD2' ' SG ' ' A' ' 32' ' ' CYS . 52.4 Cg_exo -54.17 136.34 67.59 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.528 2.152 . . . . 0.0 111.488 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -50.22 -34.25 22.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.503 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.429 HG23 HD23 ' A' ' 34' ' ' LEU . 7.9 tp -60.16 -32.73 51.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.019 0.438 . . . . 0.0 110.406 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.486 ' CA ' ' O ' ' A' ' 33' ' ' CYS . . . -80.85 -153.66 9.77 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.855 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.427 ' N ' ' O ' ' A' ' 33' ' ' CYS . 5.7 m-85 -154.74 134.02 12.52 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.583 ' SG ' ' CB ' ' A' ' 6' ' ' CYS . 75.2 m -96.81 115.37 27.32 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.006 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.9 m -152.72 165.78 34.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.846 0.355 . . . . 0.0 111.243 -178.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.574 ' N ' ' SD ' ' A' ' 30' ' ' MET . 25.6 t-20 -53.96 -31.09 49.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.498 -179.684 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.2 p -151.86 157.4 41.82 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.455 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.463 ' O ' ' CZ2' ' A' ' 22' ' ' TRP . 59.2 m -110.8 144.18 40.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.752 -178.38 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.8 m -58.64 132.02 52.57 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 178.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.434 ' C ' ' H ' ' A' ' 20' ' ' GLN . 52.1 tptt -44.6 -36.59 3.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.035 0.445 . . . . 0.0 110.086 -178.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.7 p -75.98 35.82 0.14 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.65 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.434 ' H ' ' C ' ' A' ' 18' ' ' LYS . 76.3 mt-30 -155.72 138.31 15.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.498 -179.007 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.404 HG13 ' HA ' ' A' ' 36' ' ' ALA . 86.3 mt -68.71 135.55 28.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.42 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.463 ' CZ2' ' O ' ' A' ' 16' ' ' CYS . 7.2 m95 -95.55 138.0 33.83 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.228 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.617 ' CB ' HD11 ' A' ' 3' ' ' LEU . . . -156.26 139.23 15.38 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.946 0.403 . . . . 0.0 111.06 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 3' ' ' LEU . 8.7 m -82.92 127.71 33.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.356 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 60.0 p -126.46 119.82 28.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.081 0.467 . . . . 0.0 110.634 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -50.84 -42.08 58.24 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.421 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -58.11 -28.68 61.56 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.774 -0.648 . . . . 0.0 113.306 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 89.7 m -113.8 134.84 54.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.308 0.575 . . . . 0.0 112.085 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.528 ' HG3' ' N ' ' A' ' 30' ' ' MET . 8.1 ptpp? -59.66 -49.45 77.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.311 -0.859 . . . . 0.0 112.226 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.574 ' SD ' ' N ' ' A' ' 14' ' ' ASN . 50.6 mtm -81.96 -130.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.504 -178.218 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -110.8 160.76 16.45 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 120.705 0.288 . . . . 0.0 110.83 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.516 ' SG ' HD11 ' A' ' 34' ' ' LEU . 43.2 t -101.46 126.7 48.28 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 177.275 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.486 ' O ' ' CA ' ' A' ' 10' ' ' GLY . 11.6 m -115.66 132.14 56.72 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.544 -177.44 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.859 HD22 ' CE2' ' A' ' 38' ' ' TRP . 2.3 mp -145.32 148.67 38.51 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 179.353 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -54.04 147.43 43.44 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.263 1.975 . . . . 0.0 111.193 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.404 ' HA ' HG13 ' A' ' 21' ' ' ILE . . . -51.05 -32.24 21.17 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.327 0.584 . . . . 0.0 110.339 179.493 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.5 m -63.08 -28.68 70.24 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.265 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.859 ' CE2' HD22 ' A' ' 34' ' ' LEU . 32.2 t90 -48.7 137.48 12.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.426 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -85.82 87.32 7.39 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.266 0.555 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.611 ' CE2' ' HG3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -77.99 -129.89 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.274 179.887 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.611 ' HG3' ' CE2' ' A' ' 40' ' ' TRP . 29.2 mtpp . . . . . 0 C--O 1.253 1.254 0 CA-C-O 118.436 -0.792 . . . . 0.0 110.246 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.683 HD23 ' N ' ' A' ' 2' ' ' VAL . 5.3 tt . . . . . 0 N--CA 1.478 0.932 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.683 ' N ' HD23 ' A' ' 1' ' ' LEU . 27.2 m -132.56 140.83 46.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.297 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.779 ' CD1' ' HB1' ' A' ' 23' ' ' ALA . 7.0 mp -109.16 135.67 49.9 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.694 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -62.49 -28.81 70.09 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 176.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -166.17 142.43 4.96 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 113.413 -1.721 . . . . 0.0 109.026 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.474 ' HA ' HD23 ' A' ' 3' ' ' LEU . 11.1 t -89.6 131.44 39.96 Favored Pre-proline 0 C--N 1.318 -0.791 0 C-N-CA 121.026 -0.27 . . . . 0.0 110.651 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.801 ' HB2' HG22 ' A' ' 9' ' ' ILE . 14.2 Cg_exo -66.16 146.24 81.05 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.552 2.168 . . . . 0.0 111.525 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.505 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -47.11 -30.69 2.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.665 -179.216 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.801 HG22 ' HB2' ' A' ' 7' ' ' PRO . 5.5 tp -59.99 -34.27 55.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.749 -179.095 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -84.79 177.65 51.16 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.796 -0.716 . . . . 0.0 113.929 -178.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.473 ' CE2' ' NE2' ' A' ' 20' ' ' GLN . 22.6 p90 -152.57 144.87 23.96 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.296 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.6 m -91.78 137.54 32.28 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -177.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.4 m -153.51 162.79 40.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.186 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.684 ' HA ' ' SD ' ' A' ' 30' ' ' MET . 6.0 p-10 -51.96 -36.23 48.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.268 0.556 . . . . 0.0 110.238 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 36.2 p -153.74 149.74 27.79 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.425 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.448 ' O ' ' NE1' ' A' ' 22' ' ' TRP . 73.0 m -111.16 144.84 39.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.882 0.372 . . . . 0.0 111.753 -178.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.7 t -58.97 148.75 29.44 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -50.47 -38.95 46.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.109 0.48 . . . . 0.0 110.505 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.5 p -56.93 -26.75 59.96 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.821 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.473 ' NE2' ' CE2' ' A' ' 11' ' ' TYR . 46.5 mt-30 -102.16 133.25 47.32 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.185 -179.398 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.531 HD12 ' HE3' ' A' ' 38' ' ' TRP . 80.3 mt -67.05 130.57 32.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.627 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.448 ' NE1' ' O ' ' A' ' 16' ' ' CYS . 11.9 m95 -75.82 53.45 0.74 Allowed 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.449 0.642 . . . . 0.0 110.146 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.779 ' HB1' ' CD1' ' A' ' 3' ' ' LEU . . . -72.26 110.02 6.41 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.059 -179.585 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 51.1 m -85.47 108.81 18.07 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.5 ' OG ' ' HB2' ' A' ' 28' ' ' CYS . 1.9 p -88.07 144.75 26.32 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.441 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -49.71 -57.63 6.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.935 0.398 . . . . 0.0 110.648 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -77.89 41.53 1.96 Allowed Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 121.098 -0.572 . . . . 0.0 112.447 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.5 ' HB2' ' OG ' ' A' ' 25' ' ' SER . 42.2 t -128.37 133.75 48.71 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.138 0.494 . . . . 0.0 110.835 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -64.99 -25.56 67.91 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.578 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.684 ' SD ' ' HA ' ' A' ' 14' ' ' ASN . 46.2 mtm -150.25 -136.36 0.07 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.563 -179.091 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -86.73 143.55 27.5 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.7 t -101.48 138.73 38.09 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 177.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.1 m -101.21 132.0 46.92 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-O 120.984 0.421 . . . . 0.0 110.744 -177.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.584 ' CD2' HG23 ' A' ' 9' ' ' ILE . 37.7 mt -142.44 131.66 12.02 Favored Pre-proline 0 C--N 1.319 -0.733 0 CA-C-N 115.063 -0.971 . . . . 0.0 108.717 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -49.02 137.88 28.13 Favored 'Trans proline' 0 N--CA 1.459 -0.502 0 C-N-CA 122.136 1.891 . . . . 0.0 111.545 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.05 -24.81 1.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.207 0.527 . . . . 0.0 110.074 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.7 t -69.09 -36.1 77.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.613 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.563 ' CE2' HD13 ' A' ' 34' ' ' LEU . 41.7 t90 -42.75 139.45 1.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.258 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -88.14 113.86 24.18 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.437 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.614 ' CE2' ' HG3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -78.96 -127.44 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.087 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.614 ' HG3' ' CE2' ' A' ' 40' ' ' TRP . 8.7 mtpm? . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.373 -0.823 . . . . 0.0 110.26 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.483 HD12 ' CE2' ' A' ' 40' ' ' TRP . 26.6 tp . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 121.116 0.484 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.2 t -91.05 137.12 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.375 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.518 ' HB2' ' HB2' ' A' ' 25' ' ' SER . 6.2 mp -116.55 128.18 55.19 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.434 -179.166 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.498 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -61.36 -26.87 68.11 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 177.095 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -169.47 147.6 3.63 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 113.627 -1.624 . . . . 0.0 109.177 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.78 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 34.0 t -73.25 114.72 33.98 Favored Pre-proline 0 C--N 1.313 -0.982 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.527 -179.456 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.466 ' HD2' HD21 ' A' ' 34' ' ' LEU . 82.2 Cg_exo -46.15 138.08 13.19 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 122.355 2.036 . . . . 0.0 111.422 -179.443 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.493 ' NZ ' ' HB3' ' A' ' 8' ' ' LYS . 4.6 ttpm? -42.23 -38.49 1.78 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.213 -179.038 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.1 tt -64.72 -37.91 81.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.541 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.09 -168.79 4.68 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.838 -0.696 . . . . 0.0 113.562 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -152.48 141.35 21.08 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.7 m -94.79 114.23 26.09 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 178.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.458 ' OG ' ' SG ' ' A' ' 16' ' ' CYS . 3.3 p -152.05 157.72 42.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.151 0.501 . . . . 0.0 112.044 -178.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.429 ' HA ' ' HB3' ' A' ' 30' ' ' MET . 1.7 m120 -55.89 -41.67 74.83 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.11 -0.95 . . . . 0.0 112.096 -178.652 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.502 HG22 ' CH2' ' A' ' 22' ' ' TRP . 30.6 p -151.73 158.18 43.03 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.646 -178.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.458 ' SG ' ' OG ' ' A' ' 13' ' ' SER . 82.8 m -154.24 156.1 36.44 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -178.206 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.3 m -50.95 139.13 17.91 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.196 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.479 ' HD3' ' O ' ' A' ' 18' ' ' LYS . 8.9 tmtt? -46.94 -43.43 19.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.088 0.471 . . . . 0.0 110.155 -179.275 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.502 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 0.9 OUTLIER -46.69 -39.77 12.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.17 179.337 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.435 ' HA ' ' O ' ' A' ' 34' ' ' LEU . 88.1 mt-30 -81.13 131.75 35.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.43 178.073 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.697 HD12 ' HE3' ' A' ' 38' ' ' TRP . 69.2 mt -73.26 124.37 30.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 C-N-CA 121.199 -0.201 . . . . 0.0 110.692 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.502 ' CH2' HG22 ' A' ' 15' ' ' THR . 10.8 m0 -79.14 52.57 1.32 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 178.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.5 ' O ' ' HB3' ' A' ' 32' ' ' CYS . . . -62.28 133.68 55.47 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.051 -179.232 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 3' ' ' LEU . 97.5 m -82.96 122.63 28.53 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.109 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.518 ' HB2' ' HB2' ' A' ' 3' ' ' LEU . 33.5 t -132.27 132.76 43.34 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.7 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 46.2 m170 -57.07 -34.29 68.13 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -79.02 37.29 1.94 Allowed Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.441 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.78 ' SG ' ' HB2' ' A' ' 6' ' ' CYS . 91.8 m -154.68 126.36 7.53 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -59.56 -42.5 92.55 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.429 ' HB3' ' HA ' ' A' ' 14' ' ' ASN . 25.2 mmt -109.26 -139.1 0.38 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.465 -1.243 . . . . 0.0 109.837 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -85.9 156.4 20.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.742 0.306 . . . . 0.0 110.816 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.5 ' HB3' ' O ' ' A' ' 23' ' ' ALA . 19.3 t -101.09 114.77 29.02 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 176.324 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.6 m -102.75 132.93 48.56 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.43 -176.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.899 HD22 ' CE2' ' A' ' 38' ' ' TRP . 1.5 mp -142.13 141.59 21.98 Favored Pre-proline 0 C--N 1.321 -0.645 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 179.663 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -45.1 145.58 3.18 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.602 2.201 . . . . 0.0 112.029 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' A' ' 19' ' ' THR . . . -52.08 -34.67 44.89 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.165 0.507 . . . . 0.0 109.819 179.233 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.1 m -60.99 -25.05 66.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.692 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.899 ' CE2' HD22 ' A' ' 34' ' ' LEU . 29.5 t90 -48.37 137.96 10.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.417 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -95.78 120.57 36.28 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.534 ' CG ' ' N ' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -82.42 -132.42 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 -179.639 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.534 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 28.4 mtpp . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.362 -0.828 . . . . 0.0 110.647 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.655 HD23 ' C ' ' A' ' 1' ' ' LEU . 4.7 tt . . . . . 0 N--CA 1.478 0.968 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.476 ' N ' HD23 ' A' ' 1' ' ' LEU . 64.7 t -132.46 136.65 55.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.499 ' CD1' HD21 ' A' ' 1' ' ' LEU . 7.2 mp -104.64 133.55 49.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.5 179.05 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -53.24 -32.83 50.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.774 0.797 . . . . 0.0 109.158 177.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -171.33 145.5 2.16 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.317 -1.311 . . . . 0.0 109.493 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.486 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 14.5 t -71.79 118.48 67.05 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.713 -178.474 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.44 ' HD2' HD11 ' A' ' 34' ' ' LEU . 52.6 Cg_exo -54.84 133.01 55.29 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.689 2.259 . . . . 0.0 111.396 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.513 ' HD2' ' H ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -44.97 -35.04 2.69 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.301 -0.409 . . . . 0.0 112.078 -178.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.402 HG22 ' HB2' ' A' ' 7' ' ' PRO . 13.0 tt -59.94 -37.33 71.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.843 0.354 . . . . 0.0 110.586 -179.592 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.523 ' CA ' HD23 ' A' ' 34' ' ' LEU . . . -76.28 -162.57 13.62 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.895 -0.669 . . . . 0.0 113.045 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.403 ' CD1' ' C ' ' A' ' 10' ' ' GLY . 8.8 m-85 -154.35 147.3 24.52 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 55.7 m -93.06 121.74 34.72 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.1 m -151.38 157.24 42.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.083 0.468 . . . . 0.0 111.705 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -59.16 -28.0 66.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.078 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 38.1 p -149.4 145.34 26.91 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.307 -179.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 77.0 m -110.93 144.41 40.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.993 0.425 . . . . 0.0 111.244 -178.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.3 m -59.49 146.76 39.19 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.861 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.428 ' C ' ' H ' ' A' ' 20' ' ' GLN . 96.5 mttt -46.62 -42.91 16.92 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.773 0.32 . . . . 0.0 110.83 -179.248 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.4 m -78.07 37.95 0.27 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.249 0.547 . . . . 0.0 110.791 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.453 ' HA ' ' O ' ' A' ' 34' ' ' LEU . 84.5 mt-30 -153.24 140.56 19.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.652 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.772 HD12 ' HE3' ' A' ' 38' ' ' TRP . 63.2 mt -75.24 127.45 36.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.677 -0.238 . . . . 0.0 110.828 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 26.2 m95 -78.26 52.38 1.11 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.241 0.543 . . . . 0.0 109.72 178.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.465 ' O ' ' HB3' ' A' ' 32' ' ' CYS . . . -76.43 127.85 33.65 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.508 -179.149 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 p -83.94 122.86 29.31 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.501 ' OG ' ' SG ' ' A' ' 28' ' ' CYS . 16.1 p -102.06 150.47 23.21 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.103 0.477 . . . . 0.0 111.846 -178.746 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.473 ' O ' ' ND1' ' A' ' 26' ' ' HIS . 61.4 t-80 -83.66 39.67 0.69 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 178.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -178.33 37.79 0.08 OUTLIER Glycine 0 CA--C 1.52 0.38 0 C-N-CA 120.48 -0.867 . . . . 0.0 113.306 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.501 ' SG ' ' OG ' ' A' ' 25' ' ' SER . 9.1 m -131.45 142.84 50.08 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.566 0.222 . . . . 0.0 110.578 179.087 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -49.73 -35.45 22.18 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 93.6 mmm -144.04 -119.13 0.09 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.653 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -85.8 159.04 19.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.733 0.302 . . . . 0.0 110.737 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.465 ' HB3' ' O ' ' A' ' 23' ' ' ALA . 34.5 t -102.17 123.08 45.39 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 176.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.427 ' O ' ' CA ' ' A' ' 10' ' ' GLY . 41.8 m -101.96 131.04 48.59 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.107 -178.298 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.688 HD13 ' CE2' ' A' ' 38' ' ' TRP . 26.4 mt -142.11 137.55 15.94 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.45 -179.454 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -45.05 138.9 8.76 Favored 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 122.633 2.222 . . . . 0.0 111.778 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.11 -30.83 11.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.186 0.517 . . . . 0.0 110.114 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.9 t -61.54 -34.69 75.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.297 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.772 ' HE3' HD12 ' A' ' 21' ' ' ILE . 44.0 t90 -48.66 125.86 10.76 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.689 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.52 ' O ' ' HD2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -85.97 131.46 34.28 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.294 0.568 . . . . 0.0 109.556 178.743 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.577 ' CG ' ' N ' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -84.39 -131.27 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.247 -178.174 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.577 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 15.4 ptmm? . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.528 -0.748 . . . . 0.0 110.752 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.621 HD23 ' C ' ' A' ' 1' ' ' LEU . 5.0 tt . . . . . 0 N--CA 1.479 0.978 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.9 t -133.36 128.44 55.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.082 0.468 . . . . 0.0 111.556 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.466 HD12 ' CH2' ' A' ' 40' ' ' TRP . 6.8 mp -102.67 147.27 27.03 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.107 179.282 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -71.27 -33.58 69.9 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 177.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 22.9 p90 -163.89 152.1 13.11 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.645 -1.161 . . . . 0.0 109.223 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.614 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 37.3 t -72.6 116.89 54.29 Favored Pre-proline 0 C--N 1.321 -0.649 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -50.26 142.43 28.91 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.784 2.323 . . . . 0.0 112.461 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -47.85 -41.23 23.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.756 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -60.23 -35.61 63.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.28 0.562 . . . . 0.0 109.986 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.87 -178.44 52.36 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.309 -0.859 . . . . 0.0 112.918 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.511 ' CE1' ' SG ' ' A' ' 33' ' ' CYS . 32.7 p90 -154.9 137.63 15.27 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 178.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.614 ' SG ' ' HB2' ' A' ' 6' ' ' CYS . 84.7 m -92.92 135.46 34.13 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.372 0.606 . . . . 0.0 111.892 -177.659 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.7 m -152.13 156.06 39.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.933 -1.031 . . . . 0.0 109.077 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -53.73 -24.74 15.82 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.975 0.417 . . . . 0.0 110.434 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.1 p -151.1 135.86 17.24 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.449 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 81.9 m -111.78 146.86 36.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.415 -178.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.8 m -53.84 140.23 30.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.255 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.567 ' C ' ' H ' ' A' ' 20' ' ' GLN . 18.3 ptpt -51.59 -37.51 50.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.911 0.386 . . . . 0.0 110.512 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.5 t -70.01 17.31 0.06 Allowed 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.071 0.463 . . . . 0.0 110.49 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.567 ' H ' ' C ' ' A' ' 18' ' ' LYS . 74.2 mt-30 -139.27 145.54 39.3 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.588 179.476 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.674 HD12 ' HE3' ' A' ' 38' ' ' TRP . 68.2 mt -74.8 125.86 34.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.738 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -78.21 52.42 1.11 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 178.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.1 127.23 31.33 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.213 -0.903 . . . . 0.0 112.14 -178.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.5 m -74.91 136.1 41.43 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 177.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.517 ' OG ' ' HB2' ' A' ' 28' ' ' CYS . 3.4 p -132.43 130.86 41.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.287 0.565 . . . . 0.0 111.955 -178.684 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.456 ' C ' ' H ' ' A' ' 28' ' ' CYS . 63.1 m-70 -55.48 -50.33 70.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.513 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -73.29 28.76 0.83 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.44 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.517 ' HB2' ' OG ' ' A' ' 25' ' ' SER . 38.8 m -155.77 179.59 9.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.824 0.345 . . . . 0.0 110.791 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.724 ' HB3' ' SD ' ' A' ' 30' ' ' MET . 96.9 mttt -89.72 -121.51 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -178.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.724 ' SD ' ' HB3' ' A' ' 29' ' ' LYS . 2.4 mpp? -58.81 -35.98 73.74 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 -176.577 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.502 ' CG ' ' O ' ' A' ' 30' ' ' MET . 6.6 m-85 -165.28 166.3 18.87 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.814 0.816 . . . . 0.0 113.171 -179.303 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.503 ' HB2' ' OG ' ' A' ' 25' ' ' SER . 3.5 t -121.38 142.44 49.99 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 106.479 -1.674 . . . . 0.0 106.479 176.35 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.511 ' SG ' ' CE1' ' A' ' 11' ' ' TYR . 34.5 m -103.34 130.37 50.61 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.188 -178.44 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.667 HD13 ' CE2' ' A' ' 38' ' ' TRP . 18.2 mt -146.05 126.78 7.23 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.476 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.472 ' HD2' HD12 ' A' ' 9' ' ' ILE . 42.8 Cg_exo -53.44 145.4 46.4 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.204 1.936 . . . . 0.0 111.292 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.09 -32.4 6.75 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.063 0.459 . . . . 0.0 110.086 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.5 p -61.47 -31.76 71.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.147 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.674 ' HE3' HD12 ' A' ' 21' ' ' ILE . 45.8 t90 -49.85 134.81 20.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.693 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -88.98 117.04 27.71 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.91 0.386 . . . . 0.0 110.064 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.645 ' CE2' ' HG3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -77.67 -127.98 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.093 -179.841 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.645 ' HG3' ' CE2' ' A' ' 40' ' ' TRP . 40.0 mtmt . . . . . 0 C--O 1.252 1.19 0 CA-C-O 118.09 -0.957 . . . . 0.0 109.876 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.522 HD12 ' CE2' ' A' ' 40' ' ' TRP . 40.4 tp . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 121.335 0.588 . . . . 0.0 110.109 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 61.3 t -94.11 136.09 26.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.718 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.591 ' CD1' ' HB1' ' A' ' 23' ' ' ALA . 9.7 mp -116.61 140.01 49.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.774 179.121 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.434 ' CD ' ' H ' ' A' ' 4' ' ' LYS . 11.8 mptt -59.04 -35.74 73.83 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.689 0.756 . . . . 0.0 109.109 178.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -161.49 155.47 22.17 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.588 -1.187 . . . . 0.0 109.689 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 35.0 t -72.07 123.1 88.99 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 -179.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.694 ' HD2' ' SG ' ' A' ' 32' ' ' CYS . 34.1 Cg_exo -59.35 135.63 66.61 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.632 2.222 . . . . 0.0 112.02 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -49.34 -32.51 11.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.882 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.501 HG23 ' CD2' ' A' ' 34' ' ' LEU . 6.5 tp -59.63 -36.42 65.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.703 0.287 . . . . 0.0 111.039 -179.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.597 ' HA3' HD23 ' A' ' 34' ' ' LEU . . . -96.71 -156.65 30.97 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.865 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.425 ' CD1' ' HB2' ' A' ' 33' ' ' CYS . 1.9 p90 -155.35 146.6 22.74 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 178.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.9 t -93.65 134.56 35.83 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.174 0.511 . . . . 0.0 111.505 -177.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.5 m -152.17 160.65 43.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.361 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.688 ' HA ' ' SD ' ' A' ' 30' ' ' MET . 18.8 p30 -55.22 -32.24 62.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.21 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 59.6 p -150.46 144.31 25.31 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.437 ' O ' ' NE1' ' A' ' 22' ' ' TRP . 62.8 m -111.7 143.89 41.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.562 -178.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.0 t -58.31 145.82 36.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.785 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -43.2 -45.64 5.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.689 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.7 t -58.0 -36.4 72.6 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.232 0.539 . . . . 0.0 109.916 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.401 ' NE2' ' HB3' ' A' ' 33' ' ' CYS . 78.0 mt-30 -77.52 139.23 39.55 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.009 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.534 HD12 ' HE3' ' A' ' 38' ' ' TRP . 74.4 mt -76.58 127.57 37.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.437 ' NE1' ' O ' ' A' ' 16' ' ' CYS . 14.7 m95 -75.02 56.76 0.78 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.228 0.537 . . . . 0.0 110.55 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.591 ' HB1' ' CD1' ' A' ' 3' ' ' LEU . . . -66.95 109.16 2.84 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.493 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.7 p -74.17 107.25 6.24 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.499 ' HA ' ' HB2' ' A' ' 3' ' ' LEU . 56.2 p -94.32 110.08 21.86 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.687 -179.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.494 ' C ' ' H ' ' A' ' 28' ' ' CYS . 20.9 t-160 -51.57 -40.56 59.98 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.135 0.493 . . . . 0.0 109.861 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.69 24.74 0.29 Allowed Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.679 -0.691 . . . . 0.0 113.057 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.494 ' H ' ' C ' ' A' ' 26' ' ' HIS . 42.1 t -154.84 151.62 28.84 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.333 0.587 . . . . 0.0 111.265 178.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.455 ' HG3' ' HG2' ' A' ' 30' ' ' MET . 15.2 ptpt -64.85 -47.27 78.54 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.823 -1.081 . . . . 0.0 111.346 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.688 ' SD ' ' HA ' ' A' ' 14' ' ' ASN . 4.2 mmt -102.17 -158.33 0.66 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.233 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -85.86 160.8 19.34 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-O 120.781 0.324 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.694 ' SG ' ' HD2' ' A' ' 7' ' ' PRO . 50.7 t -102.08 127.57 48.92 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 177.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.425 ' HB2' ' CD1' ' A' ' 11' ' ' TYR . 36.4 m -102.66 130.44 49.57 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.983 -179.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.622 HD13 ' CE2' ' A' ' 38' ' ' TRP . 10.0 mt -141.07 143.05 29.75 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.895 -179.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -55.77 144.67 75.56 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.269 1.979 . . . . 0.0 111.058 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.7 -27.4 11.62 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.255 0.55 . . . . 0.0 110.02 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.6 t -64.43 -29.19 70.25 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.065 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.622 ' CE2' HD13 ' A' ' 34' ' ' LEU . 42.7 t90 -54.29 140.97 31.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.166 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -97.58 127.35 43.47 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.59 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.524 ' CG ' ' N ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -73.61 -132.27 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.445 -179.208 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.524 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 63.1 mtpt . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.499 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.65 HD12 ' NE1' ' A' ' 40' ' ' TRP . 25.6 tp . . . . . 0 N--CA 1.483 1.183 0 CA-C-O 120.918 0.39 . . . . 0.0 110.767 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.2 m -122.28 129.83 75.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.953 0.406 . . . . 0.0 110.821 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.759 HD13 ' HB1' ' A' ' 23' ' ' ALA . 5.1 mp -94.86 161.58 14.1 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.805 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.488 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 3.0 mppt? -76.67 -34.02 58.25 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 177.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -158.26 152.58 24.34 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.515 -1.22 . . . . 0.0 109.188 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.428 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 16.5 t -73.59 117.69 62.81 Favored Pre-proline 0 C--N 1.318 -0.792 0 CA-C-O 120.508 0.194 . . . . 0.0 110.545 -179.15 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.666 ' HB2' HG22 ' A' ' 9' ' ' ILE . 13.3 Cg_exo -68.53 134.75 31.56 Favored 'Trans proline' 0 C--O 1.236 0.386 0 C-N-CA 122.648 2.232 . . . . 0.0 111.72 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.492 ' HD2' ' N ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -57.6 -23.22 49.69 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.409 -179.433 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.666 HG22 ' HB2' ' A' ' 7' ' ' PRO . 6.4 tp -60.24 -31.97 49.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.989 0.423 . . . . 0.0 110.324 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.643 ' HA3' HD23 ' A' ' 34' ' ' LEU . . . -95.36 -146.66 21.27 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.966 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.431 ' CD1' ' C ' ' A' ' 10' ' ' GLY . 16.2 m-85 -154.2 131.84 11.42 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.415 ' HB2' ' SG ' ' A' ' 6' ' ' CYS . 48.5 t -96.55 126.63 41.87 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.192 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.7 p -152.62 164.98 36.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.916 0.388 . . . . 0.0 111.746 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.441 ' HA ' ' HB3' ' A' ' 30' ' ' MET . 4.7 p-10 -51.89 -31.82 29.91 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.76 -179.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 31.7 p -147.39 149.88 33.61 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.723 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 99.5 m -110.82 143.07 41.95 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.337 0.589 . . . . 0.0 112.278 -178.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.6 p -61.9 145.17 53.62 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.311 -0.858 . . . . 0.0 109.69 179.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm -46.8 -37.94 9.42 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.046 0.45 . . . . 0.0 110.666 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.7 m -64.59 -37.35 87.27 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.122 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -87.85 138.47 31.43 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.166 0.508 . . . . 0.0 112.029 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.515 HD12 ' HE3' ' A' ' 38' ' ' TRP . 66.1 mt -69.02 131.89 33.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.104 178.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 19.2 m95 -77.36 52.23 0.93 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.349 0.595 . . . . 0.0 109.951 178.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.759 ' HB1' HD13 ' A' ' 3' ' ' LEU . . . -67.72 119.88 13.18 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.757 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.0 m -84.1 108.52 17.07 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.416 ' HA ' ' HB2' ' A' ' 3' ' ' LEU . 30.7 p -87.01 129.18 34.99 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.734 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -75.49 42.28 0.21 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.402 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -166.66 26.29 0.16 Allowed Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.301 -0.952 . . . . 0.0 113.241 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.6 t -146.43 145.48 30.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.258 0.552 . . . . 0.0 110.955 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.8 pttm -53.75 -48.52 69.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.189 -0.914 . . . . 0.0 112.726 -178.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.441 ' HB3' ' HA ' ' A' ' 14' ' ' ASN . 26.2 mmt -107.22 -150.85 0.45 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.758 -0.201 . . . . 0.0 111.306 -178.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -86.62 155.12 20.56 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.57 ' SG ' ' HD2' ' A' ' 7' ' ' PRO . 33.7 t -101.52 121.53 42.14 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 177.153 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.428 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 7.7 m -102.32 132.22 48.43 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.064 -178.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.643 HD23 ' HA3' ' A' ' 10' ' ' GLY . 17.7 mt -139.67 142.86 32.93 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.269 -179.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -49.75 140.66 29.45 Favored 'Trans proline' 0 N--CA 1.461 -0.426 0 C-N-CA 122.514 2.143 . . . . 0.0 111.565 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.92 -35.57 33.92 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.347 0.594 . . . . 0.0 109.747 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.5 t -65.34 -26.5 68.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.92 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.598 ' CE2' HD13 ' A' ' 34' ' ' LEU . 49.2 t90 -50.21 131.49 23.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.881 0.372 . . . . 0.0 110.169 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.497 ' NZ ' ' HB3' ' A' ' 39' ' ' LYS . 4.1 mmmp? -80.29 116.69 20.51 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.8 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.65 ' NE1' HD12 ' A' ' 1' ' ' LEU . 0.7 OUTLIER -90.07 -133.62 0.11 Allowed 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 178.618 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.521 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 6.8 mtmp? . . . . . 0 C--O 1.246 0.909 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.559 HD12 ' NE1' ' A' ' 40' ' ' TRP . 29.7 tp . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.948 0.404 . . . . 0.0 110.684 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.423 ' O ' HG13 ' A' ' 2' ' ' VAL . 11.1 p -109.11 124.66 65.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.078 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.766 ' CD1' ' HB1' ' A' ' 23' ' ' ALA . 5.2 mp -96.98 139.21 33.34 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.855 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.438 ' HB2' ' CD1' ' A' ' 5' ' ' TYR . 0.8 OUTLIER -62.12 -34.86 77.14 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 177.258 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.438 ' CD1' ' HB2' ' A' ' 4' ' ' LYS . 9.0 p90 -156.16 140.33 16.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.522 -1.217 . . . . 0.0 110.821 -178.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.479 ' SG ' ' SG ' ' A' ' 12' ' ' CYS . 53.2 t -76.87 126.23 85.98 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.18 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.424 ' HD2' HD11 ' A' ' 34' ' ' LEU . 35.6 Cg_exo -57.62 136.46 75.83 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 122.205 1.937 . . . . 0.0 110.969 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.556 ' NZ ' ' HA ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -49.94 -38.38 36.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.654 0.264 . . . . 0.0 111.068 -179.463 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.3 tt -60.15 -35.72 63.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.228 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.433 ' CA ' ' O ' ' A' ' 33' ' ' CYS . . . -71.08 177.5 35.34 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.692 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -138.13 130.31 28.82 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.496 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 74.7 m -95.27 120.79 36.11 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.108 0.48 . . . . 0.0 110.859 -179.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.1 t -152.8 172.46 16.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.468 -179.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.471 ' HA ' ' HB3' ' A' ' 30' ' ' MET . 19.0 t-20 -63.15 -27.75 69.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.034 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 55.4 p -144.95 142.77 30.12 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.961 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.4 m -110.89 144.25 40.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.244 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.2 t -52.96 143.74 16.45 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.445 ' HE3' ' HA ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -49.3 -39.21 30.19 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.04 0.448 . . . . 0.0 109.809 -179.755 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.6 t -78.27 31.63 0.18 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.807 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.438 ' HA ' ' O ' ' A' ' 34' ' ' LEU . 84.6 mt-30 -148.18 137.69 22.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.42 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.552 HD12 ' HE3' ' A' ' 38' ' ' TRP . 75.0 mt -72.74 124.29 29.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.604 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 12.8 m95 -78.2 55.16 1.47 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.103 0.477 . . . . 0.0 110.163 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.766 ' HB1' ' CD1' ' A' ' 3' ' ' LEU . . . -72.77 128.06 34.41 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.167 -179.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 51.8 m -83.98 109.35 17.56 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.946 0.403 . . . . 0.0 110.113 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.471 ' OG ' ' HB2' ' A' ' 6' ' ' CYS . 16.9 p -95.16 135.77 36.32 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.077 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -55.76 -43.01 76.28 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.835 0.35 . . . . 0.0 110.88 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -79.26 31.53 2.08 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.653 -0.784 . . . . 0.0 113.656 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.423 ' HB2' ' OG ' ' A' ' 25' ' ' SER . 80.0 m -154.42 140.53 18.43 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.974 0.416 . . . . 0.0 110.597 179.184 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.792 ' HB2' ' SD ' ' A' ' 30' ' ' MET . 62.1 mttt -63.83 -66.82 0.49 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.025 -179.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.792 ' SD ' ' HB2' ' A' ' 29' ' ' LYS . 2.9 mpp? -79.02 -128.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.493 -178.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.496 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 43.1 m-85 -105.06 158.02 16.84 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 120.683 0.278 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.471 ' HB2' ' OG ' ' A' ' 25' ' ' SER . 15.3 t -101.97 129.98 48.38 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 176.152 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.433 ' O ' ' CA ' ' A' ' 10' ' ' GLY . 28.3 m -101.69 131.73 47.78 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 -177.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.666 HD13 ' CE2' ' A' ' 38' ' ' TRP . 36.2 mt -145.61 140.28 15.65 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.41 -178.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -54.74 144.89 63.27 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.671 2.248 . . . . 0.0 111.755 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.57 -33.27 14.58 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.993 0.425 . . . . 0.0 111.2 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.4 t -64.07 -28.43 69.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.292 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.666 ' CE2' HD13 ' A' ' 34' ' ' LEU . 45.6 t90 -49.51 135.44 18.11 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.946 0.403 . . . . 0.0 111.324 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -84.8 123.51 30.52 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.126 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.559 ' NE1' HD12 ' A' ' 1' ' ' LEU . 0.0 OUTLIER -83.9 -122.31 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.98 179.889 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.549 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 20.2 ptmt . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.79 -0.624 . . . . 0.0 110.113 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.533 ' HG ' ' HA ' ' A' ' 23' ' ' ALA . 41.9 tp . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 121.345 0.593 . . . . 0.0 110.676 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 93.5 t -101.07 142.01 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.495 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.725 HD11 ' HB1' ' A' ' 23' ' ' ALA . 37.3 mt -128.12 157.4 40.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.08 -179.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -67.63 -39.97 84.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.836 0.826 . . . . 0.0 109.161 178.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.553 ' C ' ' HB2' ' A' ' 25' ' ' SER . 12.9 p90 -162.26 160.32 26.71 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.385 -1.279 . . . . 0.0 109.12 -178.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 33.5 t -71.13 115.06 32.76 Favored Pre-proline 0 C--N 1.32 -0.675 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.563 ' HD2' ' SG ' ' A' ' 32' ' ' CYS . 50.2 Cg_exo -53.77 133.22 53.31 Favored 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 122.326 2.017 . . . . 0.0 111.547 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -43.05 -41.91 3.68 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.1 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.403 HG23 ' N ' ' A' ' 10' ' ' GLY . 10.7 tt -61.79 -40.74 88.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.053 0.454 . . . . 0.0 110.723 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.57 ' CA ' HD23 ' A' ' 34' ' ' LEU . . . -77.89 143.34 27.6 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.827 -0.624 . . . . 0.0 113.416 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.471 ' CD1' ' N ' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -107.18 132.31 53.18 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.21 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 16.9 t -94.42 136.0 35.22 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.023 -177.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.6 m -153.47 171.0 19.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.916 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.4 ' HA ' ' HB3' ' A' ' 30' ' ' MET . 16.1 p30 -57.79 -32.33 67.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.31 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.472 ' HB ' ' CH2' ' A' ' 22' ' ' TRP . 40.4 p -151.89 150.16 29.76 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.09 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.568 ' HB2' ' CD1' ' A' ' 22' ' ' TRP . 56.3 m -109.6 136.47 48.92 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.205 0.526 . . . . 0.0 112.07 -177.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.0 m -60.13 145.72 45.82 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.356 178.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.449 ' C ' ' H ' ' A' ' 20' ' ' GLN . 27.2 mtpp -43.53 -41.28 4.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.106 0.479 . . . . 0.0 110.723 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.8 t -74.49 28.56 0.08 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.048 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.449 ' H ' ' C ' ' A' ' 18' ' ' LYS . 25.1 mt-30 -153.95 135.57 14.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.038 0.447 . . . . 0.0 110.221 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.456 HG22 HD21 ' A' ' 1' ' ' LEU . 80.9 mt -72.89 126.02 32.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.442 -179.281 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.568 ' CD1' ' HB2' ' A' ' 16' ' ' CYS . 17.0 m95 -77.09 59.76 1.76 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.096 0.474 . . . . 0.0 109.752 178.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.725 ' HB1' HD11 ' A' ' 3' ' ' LEU . . . -73.04 127.09 31.56 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -178.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 3' ' ' LEU . 89.8 m -85.57 131.74 34.3 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.553 ' HB2' ' C ' ' A' ' 5' ' ' TYR . 62.6 p -130.9 135.9 48.11 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -178.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -75.74 55.14 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.333 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -156.02 -33.69 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.588 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.0 t -113.05 144.25 42.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.905 0.384 . . . . 0.0 111.314 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.4 pttp -52.93 -64.29 0.87 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.471 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.4 ' HB3' ' HA ' ' A' ' 14' ' ' ASN . 22.1 mmt -78.45 -148.61 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.483 -178.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -89.17 153.19 21.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.601 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.563 ' SG ' ' HD2' ' A' ' 7' ' ' PRO . 50.1 t -100.81 121.72 42.18 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 176.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.449 ' HB3' HE21 ' A' ' 20' ' ' GLN . 5.4 m -102.48 131.43 49.18 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.153 0.502 . . . . 0.0 110.67 -177.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.66 HD13 ' CE3' ' A' ' 38' ' ' TRP . 14.5 mt -125.12 142.08 40.34 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.232 -179.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 34' ' ' LEU . 31.5 Cg_exo -56.86 143.28 91.78 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 122.381 2.054 . . . . 0.0 111.162 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.25 -34.0 14.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.848 0.356 . . . . 0.0 111.174 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.2 m -64.67 -28.51 69.66 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.295 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.66 ' CE3' HD13 ' A' ' 34' ' ' LEU . 51.0 t90 -53.58 129.19 31.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.392 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -86.01 119.4 26.27 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.901 0.381 . . . . 0.0 110.286 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.55 ' CG ' ' N ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER -86.17 -124.21 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.2 -179.878 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.55 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 14.8 ptmm? . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.847 -0.597 . . . . 0.0 109.739 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.551 HD12 ' CE2' ' A' ' 40' ' ' TRP . 46.4 tp . . . . . 0 N--CA 1.482 1.157 0 CA-C-O 120.92 0.391 . . . . 0.0 110.668 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.7 m -96.56 128.87 47.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.133 0.492 . . . . 0.0 111.819 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.513 HD12 ' CH2' ' A' ' 40' ' ' TRP . 6.0 mp -97.77 139.52 33.53 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.193 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.466 ' CD ' ' H ' ' A' ' 4' ' ' LYS . 2.0 mptp? -59.79 -35.54 74.87 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 177.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 49.4 p90 -164.96 151.38 10.38 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 113.644 -1.616 . . . . 0.0 108.844 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.0 t -73.05 116.23 48.52 Favored Pre-proline 0 C--N 1.314 -0.947 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.344 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.64 ' HG2' HD21 ' A' ' 34' ' ' LEU . 31.7 Cg_exo -58.76 147.23 89.32 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.298 1.999 . . . . 0.0 110.312 179.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -44.73 -46.18 10.27 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.65 0.262 . . . . 0.0 111.355 -178.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.768 HG23 HD23 ' A' ' 34' ' ' LEU . 16.0 tt -63.03 -33.41 60.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.029 0.442 . . . . 0.0 110.568 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.489 ' HA2' ' HG ' ' A' ' 34' ' ' LEU . . . -63.28 121.89 25.58 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.242 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -88.14 130.46 35.03 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.672 ' SG ' ' N ' ' A' ' 29' ' ' LYS . 42.4 t -96.46 112.06 23.94 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 178.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.446 ' C ' ' HB2' ' A' ' 30' ' ' MET . 49.7 m -151.73 157.59 42.23 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.941 0.401 . . . . 0.0 111.549 -178.194 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.41 ' HA ' ' HB3' ' A' ' 30' ' ' MET . 24.0 t-20 -54.79 -29.82 55.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.158 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.4 p -151.84 146.79 25.94 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.491 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.2 m -120.61 152.52 38.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.084 0.468 . . . . 0.0 111.952 -178.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.0 p -58.01 140.58 52.07 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.253 177.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.497 ' NZ ' ' HB3' ' A' ' 18' ' ' LYS . 7.5 mtpm? -47.72 -32.88 6.29 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.857 0.36 . . . . 0.0 111.02 -178.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.5 p -61.74 -40.23 94.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.365 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -85.26 131.29 34.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.934 0.397 . . . . 0.0 111.255 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.456 HD12 ' HE3' ' A' ' 38' ' ' TRP . 76.2 mt -66.24 123.64 19.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.348 -179.421 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.747 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 11.1 m0 -73.27 69.58 1.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 178.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.445 ' HB1' ' CD1' ' A' ' 3' ' ' LEU . . . -83.47 133.46 34.9 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.42 0.629 . . . . 0.0 112.454 -178.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.4 p -76.4 136.32 39.47 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.433 ' OG ' ' HB2' ' A' ' 32' ' ' CYS . 3.5 p -129.49 138.97 51.69 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.69 0.281 . . . . 0.0 111.285 -179.146 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -77.98 43.59 0.44 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.037 179.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 171.4 50.58 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.75 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.473 ' SG ' ' O ' ' A' ' 30' ' ' MET . 5.2 t -137.66 134.53 35.56 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.923 0.392 . . . . 0.0 110.309 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.672 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 53.8 mttp -53.17 -33.6 53.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.155 0.502 . . . . 0.0 110.146 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.488 ' SD ' ' CB ' ' A' ' 29' ' ' LYS . 2.3 mpt? -144.36 -125.78 0.08 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.517 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -86.84 138.22 31.75 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 121.127 -0.229 . . . . 0.0 110.509 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.433 ' HB2' ' OG ' ' A' ' 25' ' ' SER . 34.2 t -101.91 128.83 48.14 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 176.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.747 ' SG ' ' HA ' ' A' ' 22' ' ' TRP . 4.8 m -145.66 144.68 30.56 Favored 'General case' 0 C--N 1.313 -0.987 0 C-N-CA 119.121 -1.032 . . . . 0.0 112.789 -177.044 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.768 HD23 HG23 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -130.4 153.95 81.44 Favored Pre-proline 0 N--CA 1.444 -0.744 0 CA-C-N 114.412 -1.267 . . . . 0.0 108.762 179.852 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -45.48 147.49 2.68 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.38 2.054 . . . . 0.0 111.35 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.78 -34.73 41.04 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.038 0.447 . . . . 0.0 110.152 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.3 t -59.33 -24.66 63.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.638 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.75 ' NE1' HD22 ' A' ' 34' ' ' LEU . 37.5 t90 -50.91 139.32 17.43 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.368 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -88.59 120.41 29.95 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.076 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.623 ' CD2' ' HG3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -82.91 -134.04 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.832 -179.811 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.623 ' HG3' ' CD2' ' A' ' 40' ' ' TRP . 7.9 mtmp? . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.102 -0.951 . . . . 0.0 110.063 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.602 HD12 ' CZ2' ' A' ' 40' ' ' TRP . 29.3 tp . . . . . 0 N--CA 1.481 1.124 0 CA-C-O 120.865 0.364 . . . . 0.0 110.723 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 97.6 t -96.62 144.65 10.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.584 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.617 HD11 ' CB ' ' A' ' 23' ' ' ALA . 27.7 mt -134.9 142.28 46.53 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.334 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.519 ' CD ' ' H ' ' A' ' 4' ' ' LYS . 9.1 mptt -60.3 -41.28 93.08 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.858 0.837 . . . . 0.0 109.082 178.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -161.99 149.53 14.37 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.568 -1.197 . . . . 0.0 109.337 -179.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.583 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . 18.8 t -72.24 120.91 83.06 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-O 120.708 0.289 . . . . 0.0 110.553 -179.023 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.507 ' HD2' ' SG ' ' A' ' 32' ' ' CYS . 52.4 Cg_exo -54.17 136.34 67.59 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.528 2.152 . . . . 0.0 111.488 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -50.22 -34.25 22.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.503 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.429 HG23 HD23 ' A' ' 34' ' ' LEU . 7.9 tp -60.16 -32.73 51.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.019 0.438 . . . . 0.0 110.406 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.486 ' CA ' ' O ' ' A' ' 33' ' ' CYS . . . -80.85 -153.66 9.77 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.855 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.427 ' N ' ' O ' ' A' ' 33' ' ' CYS . 5.7 m-85 -154.74 134.02 12.52 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.583 ' SG ' ' CB ' ' A' ' 6' ' ' CYS . 75.2 m -96.81 115.37 27.32 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.9 m -152.72 165.78 34.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.846 0.355 . . . . 0.0 111.243 -178.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.574 ' N ' ' SD ' ' A' ' 30' ' ' MET . 25.6 t-20 -53.96 -31.09 49.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.498 -179.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.2 p -151.86 157.4 41.82 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.455 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.463 ' O ' ' CZ2' ' A' ' 22' ' ' TRP . 59.2 m -110.8 144.18 40.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.752 -178.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.8 m -58.64 132.02 52.57 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 178.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.434 ' C ' ' H ' ' A' ' 20' ' ' GLN . 52.1 tptt -44.6 -36.59 3.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.035 0.445 . . . . 0.0 110.086 -178.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.7 p -75.98 35.82 0.14 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.65 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.461 HE21 ' HB3' ' A' ' 33' ' ' CYS . 22.4 mt-30 -155.72 138.31 15.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.498 -179.007 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.404 HG13 ' HA ' ' A' ' 36' ' ' ALA . 86.3 mt -68.71 135.55 28.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.42 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.463 ' CZ2' ' O ' ' A' ' 16' ' ' CYS . 7.2 m95 -95.55 138.0 33.83 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.228 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.617 ' CB ' HD11 ' A' ' 3' ' ' LEU . . . -156.26 139.23 15.38 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.946 0.403 . . . . 0.0 111.06 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 3' ' ' LEU . 8.7 m -82.92 127.71 33.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.356 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 60.0 p -126.46 119.82 28.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.081 0.467 . . . . 0.0 110.634 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -50.84 -42.08 58.24 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.421 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -58.11 -28.68 61.56 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.774 -0.648 . . . . 0.0 113.306 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 89.7 m -113.8 134.84 54.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.308 0.575 . . . . 0.0 112.085 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.528 ' HG3' ' N ' ' A' ' 30' ' ' MET . 8.1 ptpp? -59.66 -49.45 77.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.311 -0.859 . . . . 0.0 112.226 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.574 ' SD ' ' N ' ' A' ' 14' ' ' ASN . 50.6 mtm -81.96 -130.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.504 -178.218 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -110.8 160.76 16.45 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 120.705 0.288 . . . . 0.0 110.83 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.516 ' SG ' HD11 ' A' ' 34' ' ' LEU . 43.2 t -101.46 126.7 48.28 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 177.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.486 ' O ' ' CA ' ' A' ' 10' ' ' GLY . 11.6 m -115.66 132.14 56.72 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.544 -177.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.859 HD22 ' CE2' ' A' ' 38' ' ' TRP . 2.3 mp -145.32 148.67 38.51 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 179.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -54.04 147.43 43.44 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.263 1.975 . . . . 0.0 111.193 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.404 ' HA ' HG13 ' A' ' 21' ' ' ILE . . . -51.05 -32.24 21.17 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.327 0.584 . . . . 0.0 110.339 179.493 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.5 m -63.08 -28.68 70.24 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.265 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.859 ' CE2' HD22 ' A' ' 34' ' ' LEU . 32.2 t90 -48.7 137.48 12.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.426 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -85.82 87.32 7.39 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.266 0.555 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.611 ' CE2' ' HG3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -77.99 -129.89 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.274 179.887 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.611 ' HG3' ' CE2' ' A' ' 40' ' ' TRP . 29.2 mtpp . . . . . 0 C--O 1.253 1.254 0 CA-C-O 118.436 -0.792 . . . . 0.0 110.246 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.683 HD23 ' N ' ' A' ' 2' ' ' VAL . 5.3 tt . . . . . 0 N--CA 1.478 0.932 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.683 ' N ' HD23 ' A' ' 1' ' ' LEU . 27.2 m -132.56 140.83 46.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.779 ' CD1' ' HB1' ' A' ' 23' ' ' ALA . 7.0 mp -109.16 135.67 49.9 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.694 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -62.49 -28.81 70.09 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 176.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -166.17 142.43 4.96 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 113.413 -1.721 . . . . 0.0 109.026 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.474 ' HA ' HD23 ' A' ' 3' ' ' LEU . 11.1 t -89.6 131.44 39.96 Favored Pre-proline 0 C--N 1.318 -0.791 0 C-N-CA 121.026 -0.27 . . . . 0.0 110.651 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.801 ' HB2' HG22 ' A' ' 9' ' ' ILE . 14.2 Cg_exo -66.16 146.24 81.05 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.552 2.168 . . . . 0.0 111.525 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.505 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -47.11 -30.69 2.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.665 -179.216 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.801 HG22 ' HB2' ' A' ' 7' ' ' PRO . 5.5 tp -59.99 -34.27 55.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.749 -179.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -84.79 177.65 51.16 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.796 -0.716 . . . . 0.0 113.929 -178.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.473 ' CE2' ' NE2' ' A' ' 20' ' ' GLN . 22.6 p90 -152.57 144.87 23.96 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.6 m -91.78 137.54 32.28 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -177.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.4 m -153.51 162.79 40.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.186 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.684 ' HA ' ' SD ' ' A' ' 30' ' ' MET . 6.0 p-10 -51.96 -36.23 48.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.268 0.556 . . . . 0.0 110.238 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 36.2 p -153.74 149.74 27.79 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.425 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.448 ' O ' ' NE1' ' A' ' 22' ' ' TRP . 73.0 m -111.16 144.84 39.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.882 0.372 . . . . 0.0 111.753 -178.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.7 t -58.97 148.75 29.44 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -50.47 -38.95 46.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.109 0.48 . . . . 0.0 110.505 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.5 p -56.93 -26.75 59.96 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.821 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.473 ' NE2' ' CE2' ' A' ' 11' ' ' TYR . 46.5 mt-30 -102.16 133.25 47.32 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.185 -179.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.531 HD12 ' HE3' ' A' ' 38' ' ' TRP . 80.3 mt -67.05 130.57 32.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.448 ' NE1' ' O ' ' A' ' 16' ' ' CYS . 11.9 m95 -75.82 53.45 0.74 Allowed 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.449 0.642 . . . . 0.0 110.146 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.779 ' HB1' ' CD1' ' A' ' 3' ' ' LEU . . . -72.26 110.02 6.41 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.059 -179.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 51.1 m -85.47 108.81 18.07 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.5 ' OG ' ' HB2' ' A' ' 28' ' ' CYS . 1.9 p -88.07 144.75 26.32 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -49.71 -57.63 6.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.935 0.398 . . . . 0.0 110.648 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -77.89 41.53 1.96 Allowed Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 121.098 -0.572 . . . . 0.0 112.447 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.5 ' HB2' ' OG ' ' A' ' 25' ' ' SER . 42.2 t -128.37 133.75 48.71 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.138 0.494 . . . . 0.0 110.835 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -64.99 -25.56 67.91 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.578 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.684 ' SD ' ' HA ' ' A' ' 14' ' ' ASN . 46.2 mtm -150.25 -136.36 0.07 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.563 -179.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -86.73 143.55 27.5 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.7 t -101.48 138.73 38.09 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 177.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.1 m -101.21 132.0 46.92 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-O 120.984 0.421 . . . . 0.0 110.744 -177.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.584 ' CD2' HG23 ' A' ' 9' ' ' ILE . 37.7 mt -142.44 131.66 12.02 Favored Pre-proline 0 C--N 1.319 -0.733 0 CA-C-N 115.063 -0.971 . . . . 0.0 108.717 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -49.02 137.88 28.13 Favored 'Trans proline' 0 N--CA 1.459 -0.502 0 C-N-CA 122.136 1.891 . . . . 0.0 111.545 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.05 -24.81 1.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.207 0.527 . . . . 0.0 110.074 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.7 t -69.09 -36.1 77.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.613 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.563 ' CE2' HD13 ' A' ' 34' ' ' LEU . 41.7 t90 -42.75 139.45 1.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.258 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -88.14 113.86 24.18 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.437 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.614 ' CE2' ' HG3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -78.96 -127.44 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.087 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.614 ' HG3' ' CE2' ' A' ' 40' ' ' TRP . 8.7 mtpm? . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.373 -0.823 . . . . 0.0 110.26 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.483 HD12 ' CE2' ' A' ' 40' ' ' TRP . 26.6 tp . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 121.116 0.484 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.2 t -91.05 137.12 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.375 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.518 ' HB2' ' HB2' ' A' ' 25' ' ' SER . 6.2 mp -116.55 128.18 55.19 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.434 -179.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.498 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -61.36 -26.87 68.11 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 177.095 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -169.47 147.6 3.63 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 113.627 -1.624 . . . . 0.0 109.177 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.78 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 34.0 t -73.25 114.72 33.98 Favored Pre-proline 0 C--N 1.313 -0.982 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.527 -179.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.466 ' HD2' HD21 ' A' ' 34' ' ' LEU . 82.2 Cg_exo -46.15 138.08 13.19 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 122.355 2.036 . . . . 0.0 111.422 -179.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.493 ' NZ ' ' HB3' ' A' ' 8' ' ' LYS . 4.6 ttpm? -42.23 -38.49 1.78 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.213 -179.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.1 tt -64.72 -37.91 81.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.541 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.09 -168.79 4.68 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.838 -0.696 . . . . 0.0 113.562 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -152.48 141.35 21.08 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.7 m -94.79 114.23 26.09 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 178.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.458 ' OG ' ' SG ' ' A' ' 16' ' ' CYS . 3.3 p -152.05 157.72 42.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.151 0.501 . . . . 0.0 112.044 -178.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.429 ' HA ' ' HB3' ' A' ' 30' ' ' MET . 1.7 m120 -55.89 -41.67 74.83 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.11 -0.95 . . . . 0.0 112.096 -178.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.502 HG22 ' CH2' ' A' ' 22' ' ' TRP . 30.6 p -151.73 158.18 43.03 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.646 -178.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.458 ' SG ' ' OG ' ' A' ' 13' ' ' SER . 82.8 m -154.24 156.1 36.44 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -178.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.3 m -50.95 139.13 17.91 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.196 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.479 ' HD3' ' O ' ' A' ' 18' ' ' LYS . 8.9 tmtt? -46.94 -43.43 19.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.088 0.471 . . . . 0.0 110.155 -179.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.502 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 0.9 OUTLIER -46.69 -39.77 12.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.17 179.337 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.435 ' HA ' ' O ' ' A' ' 34' ' ' LEU . 88.1 mt-30 -81.13 131.75 35.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.43 178.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.697 HD12 ' HE3' ' A' ' 38' ' ' TRP . 69.2 mt -73.26 124.37 30.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 C-N-CA 121.199 -0.201 . . . . 0.0 110.692 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.502 ' CH2' HG22 ' A' ' 15' ' ' THR . 10.8 m0 -79.14 52.57 1.32 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 178.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.5 ' O ' ' HB3' ' A' ' 32' ' ' CYS . . . -62.28 133.68 55.47 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.051 -179.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 3' ' ' LEU . 97.5 m -82.96 122.63 28.53 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.518 ' HB2' ' HB2' ' A' ' 3' ' ' LEU . 33.5 t -132.27 132.76 43.34 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.7 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 46.2 m170 -57.07 -34.29 68.13 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -79.02 37.29 1.94 Allowed Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.441 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.78 ' SG ' ' HB2' ' A' ' 6' ' ' CYS . 91.8 m -154.68 126.36 7.53 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -59.56 -42.5 92.55 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.429 ' HB3' ' HA ' ' A' ' 14' ' ' ASN . 25.2 mmt -109.26 -139.1 0.38 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.465 -1.243 . . . . 0.0 109.837 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -85.9 156.4 20.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.742 0.306 . . . . 0.0 110.816 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.5 ' HB3' ' O ' ' A' ' 23' ' ' ALA . 19.3 t -101.09 114.77 29.02 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 176.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.6 m -102.75 132.93 48.56 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.43 -176.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.899 HD22 ' CE2' ' A' ' 38' ' ' TRP . 1.5 mp -142.13 141.59 21.98 Favored Pre-proline 0 C--N 1.321 -0.645 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 179.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -45.1 145.58 3.18 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.602 2.201 . . . . 0.0 112.029 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' A' ' 19' ' ' THR . . . -52.08 -34.67 44.89 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.165 0.507 . . . . 0.0 109.819 179.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.1 m -60.99 -25.05 66.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.692 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.899 ' CE2' HD22 ' A' ' 34' ' ' LEU . 29.5 t90 -48.37 137.96 10.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.417 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -95.78 120.57 36.28 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.534 ' CG ' ' N ' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -82.42 -132.42 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 -179.639 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.534 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 28.4 mtpp . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.362 -0.828 . . . . 0.0 110.647 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.655 HD23 ' C ' ' A' ' 1' ' ' LEU . 4.7 tt . . . . . 0 N--CA 1.478 0.968 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.476 ' N ' HD23 ' A' ' 1' ' ' LEU . 64.7 t -132.46 136.65 55.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.499 ' CD1' HD21 ' A' ' 1' ' ' LEU . 7.2 mp -104.64 133.55 49.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.5 179.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -53.24 -32.83 50.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.774 0.797 . . . . 0.0 109.158 177.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -171.33 145.5 2.16 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.317 -1.311 . . . . 0.0 109.493 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.486 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 14.5 t -71.79 118.48 67.05 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.713 -178.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.44 ' HD2' HD11 ' A' ' 34' ' ' LEU . 52.6 Cg_exo -54.84 133.01 55.29 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.689 2.259 . . . . 0.0 111.396 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.513 ' HD2' ' H ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -44.97 -35.04 2.69 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.301 -0.409 . . . . 0.0 112.078 -178.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.402 HG22 ' HB2' ' A' ' 7' ' ' PRO . 13.0 tt -59.94 -37.33 71.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.843 0.354 . . . . 0.0 110.586 -179.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.523 ' CA ' HD23 ' A' ' 34' ' ' LEU . . . -76.28 -162.57 13.62 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.895 -0.669 . . . . 0.0 113.045 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.403 ' CD1' ' C ' ' A' ' 10' ' ' GLY . 8.8 m-85 -154.35 147.3 24.52 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 55.7 m -93.06 121.74 34.72 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.1 m -151.38 157.24 42.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.083 0.468 . . . . 0.0 111.705 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -59.16 -28.0 66.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.078 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 38.1 p -149.4 145.34 26.91 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.307 -179.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 77.0 m -110.93 144.41 40.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.993 0.425 . . . . 0.0 111.244 -178.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.3 m -59.49 146.76 39.19 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.861 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.428 ' C ' ' H ' ' A' ' 20' ' ' GLN . 96.5 mttt -46.62 -42.91 16.92 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.773 0.32 . . . . 0.0 110.83 -179.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.4 m -78.07 37.95 0.27 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.249 0.547 . . . . 0.0 110.791 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.453 ' HA ' ' O ' ' A' ' 34' ' ' LEU . 84.5 mt-30 -153.24 140.56 19.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.652 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.772 HD12 ' HE3' ' A' ' 38' ' ' TRP . 63.2 mt -75.24 127.45 36.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.677 -0.238 . . . . 0.0 110.828 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 26.2 m95 -78.26 52.38 1.11 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.241 0.543 . . . . 0.0 109.72 178.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.465 ' O ' ' HB3' ' A' ' 32' ' ' CYS . . . -76.43 127.85 33.65 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.508 -179.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 p -83.94 122.86 29.31 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.501 ' OG ' ' SG ' ' A' ' 28' ' ' CYS . 16.1 p -102.06 150.47 23.21 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.103 0.477 . . . . 0.0 111.846 -178.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.473 ' O ' ' ND1' ' A' ' 26' ' ' HIS . 61.4 t-80 -83.66 39.67 0.69 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 178.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -178.33 37.79 0.08 OUTLIER Glycine 0 CA--C 1.52 0.38 0 C-N-CA 120.48 -0.867 . . . . 0.0 113.306 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.501 ' SG ' ' OG ' ' A' ' 25' ' ' SER . 9.1 m -131.45 142.84 50.08 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.566 0.222 . . . . 0.0 110.578 179.087 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -49.73 -35.45 22.18 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 93.6 mmm -144.04 -119.13 0.09 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.653 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -85.8 159.04 19.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.733 0.302 . . . . 0.0 110.737 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.465 ' HB3' ' O ' ' A' ' 23' ' ' ALA . 34.5 t -102.17 123.08 45.39 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 176.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.427 ' O ' ' CA ' ' A' ' 10' ' ' GLY . 41.8 m -101.96 131.04 48.59 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.107 -178.298 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.688 HD13 ' CE2' ' A' ' 38' ' ' TRP . 26.4 mt -142.11 137.55 15.94 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.45 -179.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -45.05 138.9 8.76 Favored 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 122.633 2.222 . . . . 0.0 111.778 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.11 -30.83 11.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.186 0.517 . . . . 0.0 110.114 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.9 t -61.54 -34.69 75.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.297 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.772 ' HE3' HD12 ' A' ' 21' ' ' ILE . 44.0 t90 -48.66 125.86 10.76 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.689 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.52 ' O ' ' HD2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -85.97 131.46 34.28 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.294 0.568 . . . . 0.0 109.556 178.743 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.577 ' CG ' ' N ' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -84.39 -131.27 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.247 -178.174 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.577 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 15.4 ptmm? . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.528 -0.748 . . . . 0.0 110.752 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.621 HD23 ' C ' ' A' ' 1' ' ' LEU . 5.0 tt . . . . . 0 N--CA 1.479 0.978 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.9 t -133.36 128.44 55.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.082 0.468 . . . . 0.0 111.556 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.466 HD12 ' CH2' ' A' ' 40' ' ' TRP . 6.8 mp -102.67 147.27 27.03 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.107 179.282 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -71.27 -33.58 69.9 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 177.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 22.9 p90 -163.89 152.1 13.11 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.645 -1.161 . . . . 0.0 109.223 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.614 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 37.3 t -72.6 116.89 54.29 Favored Pre-proline 0 C--N 1.321 -0.649 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -50.26 142.43 28.91 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.784 2.323 . . . . 0.0 112.461 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -47.85 -41.23 23.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.756 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -60.23 -35.61 63.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.28 0.562 . . . . 0.0 109.986 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.87 -178.44 52.36 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.309 -0.859 . . . . 0.0 112.918 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.511 ' CE1' ' SG ' ' A' ' 33' ' ' CYS . 32.7 p90 -154.9 137.63 15.27 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 178.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.614 ' SG ' ' HB2' ' A' ' 6' ' ' CYS . 84.7 m -92.92 135.46 34.13 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.372 0.606 . . . . 0.0 111.892 -177.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.7 m -152.13 156.06 39.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.933 -1.031 . . . . 0.0 109.077 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -53.73 -24.74 15.82 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.975 0.417 . . . . 0.0 110.434 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.1 p -151.1 135.86 17.24 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.449 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 81.9 m -111.78 146.86 36.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.415 -178.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.8 m -53.84 140.23 30.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.255 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.567 ' C ' ' H ' ' A' ' 20' ' ' GLN . 18.3 ptpt -51.59 -37.51 50.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.911 0.386 . . . . 0.0 110.512 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.5 t -70.01 17.31 0.06 Allowed 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.071 0.463 . . . . 0.0 110.49 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.567 ' H ' ' C ' ' A' ' 18' ' ' LYS . 74.2 mt-30 -139.27 145.54 39.3 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.588 179.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.674 HD12 ' HE3' ' A' ' 38' ' ' TRP . 68.2 mt -74.8 125.86 34.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.738 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -78.21 52.42 1.11 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 178.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.1 127.23 31.33 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.213 -0.903 . . . . 0.0 112.14 -178.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.5 m -74.91 136.1 41.43 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 177.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.517 ' OG ' ' HB2' ' A' ' 28' ' ' CYS . 3.4 p -132.43 130.86 41.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.287 0.565 . . . . 0.0 111.955 -178.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.456 ' C ' ' H ' ' A' ' 28' ' ' CYS . 63.1 m-70 -55.48 -50.33 70.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.513 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -73.29 28.76 0.83 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.44 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.517 ' HB2' ' OG ' ' A' ' 25' ' ' SER . 38.8 m -155.77 179.59 9.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.824 0.345 . . . . 0.0 110.791 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.724 ' HB3' ' SD ' ' A' ' 30' ' ' MET . 96.9 mttt -89.72 -121.51 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -178.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.724 ' SD ' ' HB3' ' A' ' 29' ' ' LYS . 2.4 mpp? -58.81 -35.98 73.74 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 -176.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.502 ' CG ' ' O ' ' A' ' 30' ' ' MET . 6.6 m-85 -165.28 166.3 18.87 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.814 0.816 . . . . 0.0 113.171 -179.303 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.503 ' HB2' ' OG ' ' A' ' 25' ' ' SER . 3.5 t -121.38 142.44 49.99 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 106.479 -1.674 . . . . 0.0 106.479 176.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.511 ' SG ' ' CE1' ' A' ' 11' ' ' TYR . 34.5 m -103.34 130.37 50.61 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.188 -178.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.667 HD13 ' CE2' ' A' ' 38' ' ' TRP . 18.2 mt -146.05 126.78 7.23 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.476 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.472 ' HD2' HD12 ' A' ' 9' ' ' ILE . 42.8 Cg_exo -53.44 145.4 46.4 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.204 1.936 . . . . 0.0 111.292 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.09 -32.4 6.75 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.063 0.459 . . . . 0.0 110.086 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.5 p -61.47 -31.76 71.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.147 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.674 ' HE3' HD12 ' A' ' 21' ' ' ILE . 45.8 t90 -49.85 134.81 20.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.693 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -88.98 117.04 27.71 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.91 0.386 . . . . 0.0 110.064 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.645 ' CE2' ' HG3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -77.67 -127.98 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.093 -179.841 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.645 ' HG3' ' CE2' ' A' ' 40' ' ' TRP . 40.0 mtmt . . . . . 0 C--O 1.252 1.19 0 CA-C-O 118.09 -0.957 . . . . 0.0 109.876 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.522 HD12 ' CE2' ' A' ' 40' ' ' TRP . 40.4 tp . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 121.335 0.588 . . . . 0.0 110.109 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 61.3 t -94.11 136.09 26.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.718 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.591 ' CD1' ' HB1' ' A' ' 23' ' ' ALA . 9.7 mp -116.61 140.01 49.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.774 179.121 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.434 ' CD ' ' H ' ' A' ' 4' ' ' LYS . 11.8 mptt -59.04 -35.74 73.83 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.689 0.756 . . . . 0.0 109.109 178.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -161.49 155.47 22.17 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.588 -1.187 . . . . 0.0 109.689 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 35.0 t -72.07 123.1 88.99 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 -179.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.694 ' HD2' ' SG ' ' A' ' 32' ' ' CYS . 34.1 Cg_exo -59.35 135.63 66.61 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.632 2.222 . . . . 0.0 112.02 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -49.34 -32.51 11.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.882 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.501 HG23 ' CD2' ' A' ' 34' ' ' LEU . 6.5 tp -59.63 -36.42 65.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.703 0.287 . . . . 0.0 111.039 -179.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.597 ' HA3' HD23 ' A' ' 34' ' ' LEU . . . -96.71 -156.65 30.97 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.865 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.425 ' CD1' ' HB2' ' A' ' 33' ' ' CYS . 1.9 p90 -155.35 146.6 22.74 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 178.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.9 t -93.65 134.56 35.83 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.174 0.511 . . . . 0.0 111.505 -177.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.5 m -152.17 160.65 43.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.361 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.688 ' HA ' ' SD ' ' A' ' 30' ' ' MET . 18.8 p30 -55.22 -32.24 62.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.21 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 59.6 p -150.46 144.31 25.31 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.437 ' O ' ' NE1' ' A' ' 22' ' ' TRP . 62.8 m -111.7 143.89 41.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.562 -178.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.0 t -58.31 145.82 36.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.785 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -43.2 -45.64 5.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.689 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.7 t -58.0 -36.4 72.6 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.232 0.539 . . . . 0.0 109.916 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.401 ' NE2' ' HB3' ' A' ' 33' ' ' CYS . 78.0 mt-30 -77.52 139.23 39.55 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.009 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.534 HD12 ' HE3' ' A' ' 38' ' ' TRP . 74.4 mt -76.58 127.57 37.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.437 ' NE1' ' O ' ' A' ' 16' ' ' CYS . 14.7 m95 -75.02 56.76 0.78 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.228 0.537 . . . . 0.0 110.55 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.591 ' HB1' ' CD1' ' A' ' 3' ' ' LEU . . . -66.95 109.16 2.84 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.493 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.7 p -74.17 107.25 6.24 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.499 ' HA ' ' HB2' ' A' ' 3' ' ' LEU . 56.2 p -94.32 110.08 21.86 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.687 -179.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.494 ' C ' ' H ' ' A' ' 28' ' ' CYS . 20.9 t-160 -51.57 -40.56 59.98 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.135 0.493 . . . . 0.0 109.861 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.69 24.74 0.29 Allowed Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.679 -0.691 . . . . 0.0 113.057 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.494 ' H ' ' C ' ' A' ' 26' ' ' HIS . 42.1 t -154.84 151.62 28.84 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.333 0.587 . . . . 0.0 111.265 178.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.455 ' HG3' ' HG2' ' A' ' 30' ' ' MET . 15.2 ptpt -64.85 -47.27 78.54 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.823 -1.081 . . . . 0.0 111.346 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.688 ' SD ' ' HA ' ' A' ' 14' ' ' ASN . 4.2 mmt -102.17 -158.33 0.66 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.233 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -85.86 160.8 19.34 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-O 120.781 0.324 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.694 ' SG ' ' HD2' ' A' ' 7' ' ' PRO . 50.7 t -102.08 127.57 48.92 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 177.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.425 ' HB2' ' CD1' ' A' ' 11' ' ' TYR . 36.4 m -102.66 130.44 49.57 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.983 -179.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.622 HD13 ' CE2' ' A' ' 38' ' ' TRP . 10.0 mt -141.07 143.05 29.75 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.895 -179.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -55.77 144.67 75.56 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.269 1.979 . . . . 0.0 111.058 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.7 -27.4 11.62 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.255 0.55 . . . . 0.0 110.02 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.6 t -64.43 -29.19 70.25 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.065 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.622 ' CE2' HD13 ' A' ' 34' ' ' LEU . 42.7 t90 -54.29 140.97 31.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.166 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -97.58 127.35 43.47 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.59 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.524 ' CG ' ' N ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -73.61 -132.27 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.445 -179.208 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.524 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 63.1 mtpt . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.499 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.65 HD12 ' NE1' ' A' ' 40' ' ' TRP . 25.6 tp . . . . . 0 N--CA 1.483 1.183 0 CA-C-O 120.918 0.39 . . . . 0.0 110.767 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.2 m -122.28 129.83 75.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.953 0.406 . . . . 0.0 110.821 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.759 HD13 ' HB1' ' A' ' 23' ' ' ALA . 5.1 mp -94.86 161.58 14.1 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.805 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.488 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 3.0 mppt? -76.67 -34.02 58.25 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 177.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -158.26 152.58 24.34 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.515 -1.22 . . . . 0.0 109.188 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.428 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 16.5 t -73.59 117.69 62.81 Favored Pre-proline 0 C--N 1.318 -0.792 0 CA-C-O 120.508 0.194 . . . . 0.0 110.545 -179.15 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.666 ' HB2' HG22 ' A' ' 9' ' ' ILE . 13.3 Cg_exo -68.53 134.75 31.56 Favored 'Trans proline' 0 C--O 1.236 0.386 0 C-N-CA 122.648 2.232 . . . . 0.0 111.72 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.492 ' HD2' ' N ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -57.6 -23.22 49.69 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.409 -179.433 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.666 HG22 ' HB2' ' A' ' 7' ' ' PRO . 6.4 tp -60.24 -31.97 49.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.989 0.423 . . . . 0.0 110.324 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.643 ' HA3' HD23 ' A' ' 34' ' ' LEU . . . -95.36 -146.66 21.27 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.966 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.431 ' CD1' ' C ' ' A' ' 10' ' ' GLY . 16.2 m-85 -154.2 131.84 11.42 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.415 ' HB2' ' SG ' ' A' ' 6' ' ' CYS . 48.5 t -96.55 126.63 41.87 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.192 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.7 p -152.62 164.98 36.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.916 0.388 . . . . 0.0 111.746 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.441 ' HA ' ' HB3' ' A' ' 30' ' ' MET . 4.7 p-10 -51.89 -31.82 29.91 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.76 -179.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 31.7 p -147.39 149.88 33.61 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.723 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 99.5 m -110.82 143.07 41.95 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.337 0.589 . . . . 0.0 112.278 -178.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.6 p -61.9 145.17 53.62 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.311 -0.858 . . . . 0.0 109.69 179.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm -46.8 -37.94 9.42 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.046 0.45 . . . . 0.0 110.666 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.7 m -64.59 -37.35 87.27 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.122 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -87.85 138.47 31.43 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.166 0.508 . . . . 0.0 112.029 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.515 HD12 ' HE3' ' A' ' 38' ' ' TRP . 66.1 mt -69.02 131.89 33.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.104 178.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 19.2 m95 -77.36 52.23 0.93 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.349 0.595 . . . . 0.0 109.951 178.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.759 ' HB1' HD13 ' A' ' 3' ' ' LEU . . . -67.72 119.88 13.18 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.757 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.0 m -84.1 108.52 17.07 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.416 ' HA ' ' HB2' ' A' ' 3' ' ' LEU . 30.7 p -87.01 129.18 34.99 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.734 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -75.49 42.28 0.21 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.402 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -166.66 26.29 0.16 Allowed Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.301 -0.952 . . . . 0.0 113.241 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.6 t -146.43 145.48 30.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.258 0.552 . . . . 0.0 110.955 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.8 pttm -53.75 -48.52 69.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.189 -0.914 . . . . 0.0 112.726 -178.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.441 ' HB3' ' HA ' ' A' ' 14' ' ' ASN . 26.2 mmt -107.22 -150.85 0.45 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.758 -0.201 . . . . 0.0 111.306 -178.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -86.62 155.12 20.56 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.57 ' SG ' ' HD2' ' A' ' 7' ' ' PRO . 33.7 t -101.52 121.53 42.14 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 177.153 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.428 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 7.7 m -102.32 132.22 48.43 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.064 -178.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.643 HD23 ' HA3' ' A' ' 10' ' ' GLY . 17.7 mt -139.67 142.86 32.93 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.269 -179.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -49.75 140.66 29.45 Favored 'Trans proline' 0 N--CA 1.461 -0.426 0 C-N-CA 122.514 2.143 . . . . 0.0 111.565 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.92 -35.57 33.92 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.347 0.594 . . . . 0.0 109.747 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.5 t -65.34 -26.5 68.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.92 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.598 ' CE2' HD13 ' A' ' 34' ' ' LEU . 49.2 t90 -50.21 131.49 23.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.881 0.372 . . . . 0.0 110.169 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.497 ' NZ ' ' HB3' ' A' ' 39' ' ' LYS . 4.1 mmmp? -80.29 116.69 20.51 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.8 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.65 ' NE1' HD12 ' A' ' 1' ' ' LEU . 0.7 OUTLIER -90.07 -133.62 0.11 Allowed 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 178.618 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.521 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 6.8 mtmp? . . . . . 0 C--O 1.246 0.909 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.559 HD12 ' NE1' ' A' ' 40' ' ' TRP . 29.7 tp . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.948 0.404 . . . . 0.0 110.684 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.423 ' O ' HG13 ' A' ' 2' ' ' VAL . 11.1 p -109.11 124.66 65.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.078 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.766 ' CD1' ' HB1' ' A' ' 23' ' ' ALA . 5.2 mp -96.98 139.21 33.34 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.855 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.438 ' HB2' ' CD1' ' A' ' 5' ' ' TYR . 0.8 OUTLIER -62.12 -34.86 77.14 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 177.258 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.438 ' CD1' ' HB2' ' A' ' 4' ' ' LYS . 9.0 p90 -156.16 140.33 16.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.522 -1.217 . . . . 0.0 110.821 -178.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.479 ' SG ' ' SG ' ' A' ' 12' ' ' CYS . 53.2 t -76.87 126.23 85.98 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.18 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.424 ' HD2' HD11 ' A' ' 34' ' ' LEU . 35.6 Cg_exo -57.62 136.46 75.83 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 122.205 1.937 . . . . 0.0 110.969 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.556 ' NZ ' ' HA ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -49.94 -38.38 36.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.654 0.264 . . . . 0.0 111.068 -179.463 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.3 tt -60.15 -35.72 63.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.228 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.433 ' CA ' ' O ' ' A' ' 33' ' ' CYS . . . -71.08 177.5 35.34 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.692 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -138.13 130.31 28.82 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.496 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 74.7 m -95.27 120.79 36.11 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.108 0.48 . . . . 0.0 110.859 -179.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.1 t -152.8 172.46 16.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.468 -179.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.471 ' HA ' ' HB3' ' A' ' 30' ' ' MET . 19.0 t-20 -63.15 -27.75 69.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.034 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 55.4 p -144.95 142.77 30.12 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.961 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.4 m -110.89 144.25 40.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.244 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.2 t -52.96 143.74 16.45 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.445 ' HE3' ' HA ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -49.3 -39.21 30.19 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.04 0.448 . . . . 0.0 109.809 -179.755 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.6 t -78.27 31.63 0.18 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.807 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.438 ' HA ' ' O ' ' A' ' 34' ' ' LEU . 84.6 mt-30 -148.18 137.69 22.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.42 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.552 HD12 ' HE3' ' A' ' 38' ' ' TRP . 75.0 mt -72.74 124.29 29.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.604 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 12.8 m95 -78.2 55.16 1.47 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.103 0.477 . . . . 0.0 110.163 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.766 ' HB1' ' CD1' ' A' ' 3' ' ' LEU . . . -72.77 128.06 34.41 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.167 -179.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 51.8 m -83.98 109.35 17.56 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.946 0.403 . . . . 0.0 110.113 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.471 ' OG ' ' HB2' ' A' ' 6' ' ' CYS . 16.9 p -95.16 135.77 36.32 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.077 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -55.76 -43.01 76.28 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.835 0.35 . . . . 0.0 110.88 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -79.26 31.53 2.08 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.653 -0.784 . . . . 0.0 113.656 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.423 ' HB2' ' OG ' ' A' ' 25' ' ' SER . 80.0 m -154.42 140.53 18.43 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.974 0.416 . . . . 0.0 110.597 179.184 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.792 ' HB2' ' SD ' ' A' ' 30' ' ' MET . 62.1 mttt -63.83 -66.82 0.49 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.025 -179.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.792 ' SD ' ' HB2' ' A' ' 29' ' ' LYS . 2.9 mpp? -79.02 -128.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.493 -178.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.496 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 43.1 m-85 -105.06 158.02 16.84 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 120.683 0.278 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.471 ' HB2' ' OG ' ' A' ' 25' ' ' SER . 15.3 t -101.97 129.98 48.38 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 176.152 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.433 ' O ' ' CA ' ' A' ' 10' ' ' GLY . 28.3 m -101.69 131.73 47.78 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 -177.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.666 HD13 ' CE2' ' A' ' 38' ' ' TRP . 36.2 mt -145.61 140.28 15.65 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.41 -178.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -54.74 144.89 63.27 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.671 2.248 . . . . 0.0 111.755 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.57 -33.27 14.58 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.993 0.425 . . . . 0.0 111.2 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.4 t -64.07 -28.43 69.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.292 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.666 ' CE2' HD13 ' A' ' 34' ' ' LEU . 45.6 t90 -49.51 135.44 18.11 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.946 0.403 . . . . 0.0 111.324 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -84.8 123.51 30.52 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.126 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.559 ' NE1' HD12 ' A' ' 1' ' ' LEU . 0.0 OUTLIER -83.9 -122.31 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.98 179.889 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.549 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 20.2 ptmt . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.79 -0.624 . . . . 0.0 110.113 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.533 ' HG ' ' HA ' ' A' ' 23' ' ' ALA . 41.9 tp . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 121.345 0.593 . . . . 0.0 110.676 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 93.5 t -101.07 142.01 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.495 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.725 HD11 ' HB1' ' A' ' 23' ' ' ALA . 37.3 mt -128.12 157.4 40.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.08 -179.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -67.63 -39.97 84.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.836 0.826 . . . . 0.0 109.161 178.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.553 ' C ' ' HB2' ' A' ' 25' ' ' SER . 12.9 p90 -162.26 160.32 26.71 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.385 -1.279 . . . . 0.0 109.12 -178.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 33.5 t -71.13 115.06 32.76 Favored Pre-proline 0 C--N 1.32 -0.675 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.563 ' HD2' ' SG ' ' A' ' 32' ' ' CYS . 50.2 Cg_exo -53.77 133.22 53.31 Favored 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 122.326 2.017 . . . . 0.0 111.547 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -43.05 -41.91 3.68 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.1 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.403 HG23 ' N ' ' A' ' 10' ' ' GLY . 10.7 tt -61.79 -40.74 88.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.053 0.454 . . . . 0.0 110.723 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.57 ' CA ' HD23 ' A' ' 34' ' ' LEU . . . -77.89 143.34 27.6 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.827 -0.624 . . . . 0.0 113.416 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.471 ' CD1' ' N ' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -107.18 132.31 53.18 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.21 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 16.9 t -94.42 136.0 35.22 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.023 -177.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.6 m -153.47 171.0 19.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.916 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.4 ' HA ' ' HB3' ' A' ' 30' ' ' MET . 16.1 p30 -57.79 -32.33 67.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.31 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.472 ' HB ' ' CH2' ' A' ' 22' ' ' TRP . 40.4 p -151.89 150.16 29.76 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.09 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.568 ' HB2' ' CD1' ' A' ' 22' ' ' TRP . 56.3 m -109.6 136.47 48.92 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.205 0.526 . . . . 0.0 112.07 -177.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.0 m -60.13 145.72 45.82 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.356 178.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.449 ' C ' ' H ' ' A' ' 20' ' ' GLN . 27.2 mtpp -43.53 -41.28 4.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.106 0.479 . . . . 0.0 110.723 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.8 t -74.49 28.56 0.08 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.048 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.449 ' H ' ' C ' ' A' ' 18' ' ' LYS . 25.1 mt-30 -153.95 135.57 14.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.038 0.447 . . . . 0.0 110.221 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.456 HG22 HD21 ' A' ' 1' ' ' LEU . 80.9 mt -72.89 126.02 32.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.442 -179.281 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.568 ' CD1' ' HB2' ' A' ' 16' ' ' CYS . 17.0 m95 -77.09 59.76 1.76 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.096 0.474 . . . . 0.0 109.752 178.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.725 ' HB1' HD11 ' A' ' 3' ' ' LEU . . . -73.04 127.09 31.56 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -178.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 3' ' ' LEU . 89.8 m -85.57 131.74 34.3 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.553 ' HB2' ' C ' ' A' ' 5' ' ' TYR . 62.6 p -130.9 135.9 48.11 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -178.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -75.74 55.14 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.333 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -156.02 -33.69 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.588 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.0 t -113.05 144.25 42.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.905 0.384 . . . . 0.0 111.314 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.4 pttp -52.93 -64.29 0.87 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.471 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.4 ' HB3' ' HA ' ' A' ' 14' ' ' ASN . 22.1 mmt -78.45 -148.61 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.483 -178.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -89.17 153.19 21.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.601 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.563 ' SG ' ' HD2' ' A' ' 7' ' ' PRO . 50.1 t -100.81 121.72 42.18 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 176.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.449 ' HB3' HE21 ' A' ' 20' ' ' GLN . 5.4 m -102.48 131.43 49.18 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.153 0.502 . . . . 0.0 110.67 -177.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.66 HD13 ' CE3' ' A' ' 38' ' ' TRP . 14.5 mt -125.12 142.08 40.34 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.232 -179.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 34' ' ' LEU . 31.5 Cg_exo -56.86 143.28 91.78 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 122.381 2.054 . . . . 0.0 111.162 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.25 -34.0 14.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.848 0.356 . . . . 0.0 111.174 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.2 m -64.67 -28.51 69.66 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.295 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.66 ' CE3' HD13 ' A' ' 34' ' ' LEU . 51.0 t90 -53.58 129.19 31.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.392 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -86.01 119.4 26.27 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.901 0.381 . . . . 0.0 110.286 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.55 ' CG ' ' N ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER -86.17 -124.21 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.2 -179.878 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.55 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 14.8 ptmm? . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.847 -0.597 . . . . 0.0 109.739 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.551 HD12 ' CE2' ' A' ' 40' ' ' TRP . 46.4 tp . . . . . 0 N--CA 1.482 1.157 0 CA-C-O 120.92 0.391 . . . . 0.0 110.668 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.7 m -96.56 128.87 47.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.133 0.492 . . . . 0.0 111.819 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.513 HD12 ' CH2' ' A' ' 40' ' ' TRP . 6.0 mp -97.77 139.52 33.53 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.193 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.466 ' CD ' ' H ' ' A' ' 4' ' ' LYS . 2.0 mptp? -59.79 -35.54 74.87 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 177.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 49.4 p90 -164.96 151.38 10.38 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 113.644 -1.616 . . . . 0.0 108.844 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.0 t -73.05 116.23 48.52 Favored Pre-proline 0 C--N 1.314 -0.947 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.344 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.64 ' HG2' HD21 ' A' ' 34' ' ' LEU . 31.7 Cg_exo -58.76 147.23 89.32 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.298 1.999 . . . . 0.0 110.312 179.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -44.73 -46.18 10.27 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.65 0.262 . . . . 0.0 111.355 -178.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.768 HG23 HD23 ' A' ' 34' ' ' LEU . 16.0 tt -63.03 -33.41 60.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.029 0.442 . . . . 0.0 110.568 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.489 ' HA2' ' HG ' ' A' ' 34' ' ' LEU . . . -63.28 121.89 25.58 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.242 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -88.14 130.46 35.03 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.672 ' SG ' ' N ' ' A' ' 29' ' ' LYS . 42.4 t -96.46 112.06 23.94 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 178.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.446 ' C ' ' HB2' ' A' ' 30' ' ' MET . 49.7 m -151.73 157.59 42.23 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.941 0.401 . . . . 0.0 111.549 -178.194 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.41 ' HA ' ' HB3' ' A' ' 30' ' ' MET . 24.0 t-20 -54.79 -29.82 55.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.158 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.4 p -151.84 146.79 25.94 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.491 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.2 m -120.61 152.52 38.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.084 0.468 . . . . 0.0 111.952 -178.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.0 p -58.01 140.58 52.07 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.253 177.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.497 ' NZ ' ' HB3' ' A' ' 18' ' ' LYS . 7.5 mtpm? -47.72 -32.88 6.29 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.857 0.36 . . . . 0.0 111.02 -178.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.5 p -61.74 -40.23 94.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.365 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -85.26 131.29 34.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.934 0.397 . . . . 0.0 111.255 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.456 HD12 ' HE3' ' A' ' 38' ' ' TRP . 76.2 mt -66.24 123.64 19.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.348 -179.421 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.747 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 11.1 m0 -73.27 69.58 1.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 178.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.445 ' HB1' ' CD1' ' A' ' 3' ' ' LEU . . . -83.47 133.46 34.9 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.42 0.629 . . . . 0.0 112.454 -178.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.4 p -76.4 136.32 39.47 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.433 ' OG ' ' HB2' ' A' ' 32' ' ' CYS . 3.5 p -129.49 138.97 51.69 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.69 0.281 . . . . 0.0 111.285 -179.146 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -77.98 43.59 0.44 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.037 179.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 171.4 50.58 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.75 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.473 ' SG ' ' O ' ' A' ' 30' ' ' MET . 5.2 t -137.66 134.53 35.56 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.923 0.392 . . . . 0.0 110.309 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.672 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 53.8 mttp -53.17 -33.6 53.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.155 0.502 . . . . 0.0 110.146 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.488 ' SD ' ' CB ' ' A' ' 29' ' ' LYS . 2.3 mpt? -144.36 -125.78 0.08 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.517 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -86.84 138.22 31.75 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 121.127 -0.229 . . . . 0.0 110.509 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.433 ' HB2' ' OG ' ' A' ' 25' ' ' SER . 34.2 t -101.91 128.83 48.14 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 176.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.747 ' SG ' ' HA ' ' A' ' 22' ' ' TRP . 4.8 m -145.66 144.68 30.56 Favored 'General case' 0 C--N 1.313 -0.987 0 C-N-CA 119.121 -1.032 . . . . 0.0 112.789 -177.044 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.768 HD23 HG23 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -130.4 153.95 81.44 Favored Pre-proline 0 N--CA 1.444 -0.744 0 CA-C-N 114.412 -1.267 . . . . 0.0 108.762 179.852 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -45.48 147.49 2.68 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.38 2.054 . . . . 0.0 111.35 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.78 -34.73 41.04 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.038 0.447 . . . . 0.0 110.152 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.3 t -59.33 -24.66 63.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.638 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.75 ' NE1' HD22 ' A' ' 34' ' ' LEU . 37.5 t90 -50.91 139.32 17.43 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.368 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -88.59 120.41 29.95 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.076 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.623 ' CD2' ' HG3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -82.91 -134.04 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.832 -179.811 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.623 ' HG3' ' CD2' ' A' ' 40' ' ' TRP . 7.9 mtmp? . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.102 -0.951 . . . . 0.0 110.063 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.602 HD12 ' CZ2' ' A' ' 40' ' ' TRP . 29.3 tp . . . . . 0 N--CA 1.481 1.124 0 CA-C-O 120.865 0.364 . . . . 0.0 110.723 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 97.6 t -96.62 144.65 10.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.584 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.617 HD11 ' CB ' ' A' ' 23' ' ' ALA . 27.7 mt -134.9 142.28 46.53 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.334 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.519 ' CD ' ' H ' ' A' ' 4' ' ' LYS . 9.1 mptt -60.3 -41.28 93.08 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.858 0.837 . . . . 0.0 109.082 178.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -161.99 149.53 14.37 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.568 -1.197 . . . . 0.0 109.337 -179.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.583 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . 18.8 t -72.24 120.91 83.06 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-O 120.708 0.289 . . . . 0.0 110.553 -179.023 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.507 ' HD2' ' SG ' ' A' ' 32' ' ' CYS . 52.4 Cg_exo -54.17 136.34 67.59 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.528 2.152 . . . . 0.0 111.488 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -50.22 -34.25 22.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.503 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.429 HG23 HD23 ' A' ' 34' ' ' LEU . 7.9 tp -60.16 -32.73 51.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.019 0.438 . . . . 0.0 110.406 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.486 ' CA ' ' O ' ' A' ' 33' ' ' CYS . . . -80.85 -153.66 9.77 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.855 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.427 ' N ' ' O ' ' A' ' 33' ' ' CYS . 5.7 m-85 -154.74 134.02 12.52 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.583 ' SG ' ' CB ' ' A' ' 6' ' ' CYS . 75.2 m -96.81 115.37 27.32 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.9 m -152.72 165.78 34.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.846 0.355 . . . . 0.0 111.243 -178.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.574 ' N ' ' SD ' ' A' ' 30' ' ' MET . 25.6 t-20 -53.96 -31.09 49.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.498 -179.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.2 p -151.86 157.4 41.82 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.455 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.463 ' O ' ' CZ2' ' A' ' 22' ' ' TRP . 59.2 m -110.8 144.18 40.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.752 -178.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.8 m -58.64 132.02 52.57 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 178.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.434 ' C ' ' H ' ' A' ' 20' ' ' GLN . 52.1 tptt -44.6 -36.59 3.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.035 0.445 . . . . 0.0 110.086 -178.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.7 p -75.98 35.82 0.14 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.65 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.461 HE21 ' HB3' ' A' ' 33' ' ' CYS . 22.4 mt-30 -155.72 138.31 15.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.498 -179.007 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.404 HG13 ' HA ' ' A' ' 36' ' ' ALA . 86.3 mt -68.71 135.55 28.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.42 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.463 ' CZ2' ' O ' ' A' ' 16' ' ' CYS . 7.2 m95 -95.55 138.0 33.83 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.228 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.617 ' CB ' HD11 ' A' ' 3' ' ' LEU . . . -156.26 139.23 15.38 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.946 0.403 . . . . 0.0 111.06 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 3' ' ' LEU . 8.7 m -82.92 127.71 33.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.356 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 60.0 p -126.46 119.82 28.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.081 0.467 . . . . 0.0 110.634 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -50.84 -42.08 58.24 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.421 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -58.11 -28.68 61.56 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.774 -0.648 . . . . 0.0 113.306 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 89.7 m -113.8 134.84 54.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.308 0.575 . . . . 0.0 112.085 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.528 ' HG3' ' N ' ' A' ' 30' ' ' MET . 8.1 ptpp? -59.66 -49.45 77.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.311 -0.859 . . . . 0.0 112.226 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.574 ' SD ' ' N ' ' A' ' 14' ' ' ASN . 50.6 mtm -81.96 -130.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.504 -178.218 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -110.8 160.76 16.45 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 120.705 0.288 . . . . 0.0 110.83 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.516 ' SG ' HD11 ' A' ' 34' ' ' LEU . 43.2 t -101.46 126.7 48.28 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 177.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.486 ' O ' ' CA ' ' A' ' 10' ' ' GLY . 11.6 m -115.66 132.14 56.72 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.544 -177.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.859 HD22 ' CE2' ' A' ' 38' ' ' TRP . 2.3 mp -145.32 148.67 38.51 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 179.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -54.04 147.43 43.44 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.263 1.975 . . . . 0.0 111.193 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.404 ' HA ' HG13 ' A' ' 21' ' ' ILE . . . -51.05 -32.24 21.17 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.327 0.584 . . . . 0.0 110.339 179.493 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.5 m -63.08 -28.68 70.24 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.265 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.859 ' CE2' HD22 ' A' ' 34' ' ' LEU . 32.2 t90 -48.7 137.48 12.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.426 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -85.82 87.32 7.39 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.266 0.555 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.611 ' CE2' ' HG3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -77.99 -129.89 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.274 179.887 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.611 ' HG3' ' CE2' ' A' ' 40' ' ' TRP . 29.2 mtpp . . . . . 0 C--O 1.253 1.254 0 CA-C-O 118.436 -0.792 . . . . 0.0 110.246 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.683 HD23 ' N ' ' A' ' 2' ' ' VAL . 5.3 tt . . . . . 0 N--CA 1.478 0.932 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.683 ' N ' HD23 ' A' ' 1' ' ' LEU . 27.2 m -132.56 140.83 46.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.779 ' CD1' ' HB1' ' A' ' 23' ' ' ALA . 7.0 mp -109.16 135.67 49.9 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.694 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -62.49 -28.81 70.09 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 176.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -166.17 142.43 4.96 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 113.413 -1.721 . . . . 0.0 109.026 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.474 ' HA ' HD23 ' A' ' 3' ' ' LEU . 11.1 t -89.6 131.44 39.96 Favored Pre-proline 0 C--N 1.318 -0.791 0 C-N-CA 121.026 -0.27 . . . . 0.0 110.651 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.801 ' HB2' HG22 ' A' ' 9' ' ' ILE . 14.2 Cg_exo -66.16 146.24 81.05 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.552 2.168 . . . . 0.0 111.525 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.505 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -47.11 -30.69 2.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.665 -179.216 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.801 HG22 ' HB2' ' A' ' 7' ' ' PRO . 5.5 tp -59.99 -34.27 55.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.749 -179.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -84.79 177.65 51.16 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.796 -0.716 . . . . 0.0 113.929 -178.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.473 ' CE2' ' NE2' ' A' ' 20' ' ' GLN . 22.6 p90 -152.57 144.87 23.96 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.6 m -91.78 137.54 32.28 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -177.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.4 m -153.51 162.79 40.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.186 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.684 ' HA ' ' SD ' ' A' ' 30' ' ' MET . 6.0 p-10 -51.96 -36.23 48.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.268 0.556 . . . . 0.0 110.238 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 36.2 p -153.74 149.74 27.79 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.425 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.448 ' O ' ' NE1' ' A' ' 22' ' ' TRP . 73.0 m -111.16 144.84 39.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.882 0.372 . . . . 0.0 111.753 -178.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.7 t -58.97 148.75 29.44 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -50.47 -38.95 46.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.109 0.48 . . . . 0.0 110.505 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.5 p -56.93 -26.75 59.96 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.821 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.473 ' NE2' ' CE2' ' A' ' 11' ' ' TYR . 46.5 mt-30 -102.16 133.25 47.32 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.185 -179.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.531 HD12 ' HE3' ' A' ' 38' ' ' TRP . 80.3 mt -67.05 130.57 32.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.448 ' NE1' ' O ' ' A' ' 16' ' ' CYS . 11.9 m95 -75.82 53.45 0.74 Allowed 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.449 0.642 . . . . 0.0 110.146 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.779 ' HB1' ' CD1' ' A' ' 3' ' ' LEU . . . -72.26 110.02 6.41 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.059 -179.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 51.1 m -85.47 108.81 18.07 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.5 ' OG ' ' HB2' ' A' ' 28' ' ' CYS . 1.9 p -88.07 144.75 26.32 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -49.71 -57.63 6.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.935 0.398 . . . . 0.0 110.648 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -77.89 41.53 1.96 Allowed Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 121.098 -0.572 . . . . 0.0 112.447 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.5 ' HB2' ' OG ' ' A' ' 25' ' ' SER . 42.2 t -128.37 133.75 48.71 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.138 0.494 . . . . 0.0 110.835 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -64.99 -25.56 67.91 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.578 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.684 ' SD ' ' HA ' ' A' ' 14' ' ' ASN . 46.2 mtm -150.25 -136.36 0.07 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.563 -179.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -86.73 143.55 27.5 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.7 t -101.48 138.73 38.09 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 177.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.1 m -101.21 132.0 46.92 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-O 120.984 0.421 . . . . 0.0 110.744 -177.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.584 ' CD2' HG23 ' A' ' 9' ' ' ILE . 37.7 mt -142.44 131.66 12.02 Favored Pre-proline 0 C--N 1.319 -0.733 0 CA-C-N 115.063 -0.971 . . . . 0.0 108.717 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -49.02 137.88 28.13 Favored 'Trans proline' 0 N--CA 1.459 -0.502 0 C-N-CA 122.136 1.891 . . . . 0.0 111.545 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.05 -24.81 1.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.207 0.527 . . . . 0.0 110.074 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.7 t -69.09 -36.1 77.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.613 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.563 ' CE2' HD13 ' A' ' 34' ' ' LEU . 41.7 t90 -42.75 139.45 1.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.258 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -88.14 113.86 24.18 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.437 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.614 ' CE2' ' HG3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -78.96 -127.44 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.087 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.614 ' HG3' ' CE2' ' A' ' 40' ' ' TRP . 8.7 mtpm? . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.373 -0.823 . . . . 0.0 110.26 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.483 HD12 ' CE2' ' A' ' 40' ' ' TRP . 26.6 tp . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 121.116 0.484 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.2 t -91.05 137.12 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.375 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.518 ' HB2' ' HB2' ' A' ' 25' ' ' SER . 6.2 mp -116.55 128.18 55.19 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.434 -179.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.498 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -61.36 -26.87 68.11 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 177.095 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -169.47 147.6 3.63 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 113.627 -1.624 . . . . 0.0 109.177 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.78 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 34.0 t -73.25 114.72 33.98 Favored Pre-proline 0 C--N 1.313 -0.982 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.527 -179.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.466 ' HD2' HD21 ' A' ' 34' ' ' LEU . 82.2 Cg_exo -46.15 138.08 13.19 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 122.355 2.036 . . . . 0.0 111.422 -179.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.493 ' NZ ' ' HB3' ' A' ' 8' ' ' LYS . 4.6 ttpm? -42.23 -38.49 1.78 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.213 -179.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.1 tt -64.72 -37.91 81.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.541 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.09 -168.79 4.68 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.838 -0.696 . . . . 0.0 113.562 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -152.48 141.35 21.08 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.7 m -94.79 114.23 26.09 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 178.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.458 ' OG ' ' SG ' ' A' ' 16' ' ' CYS . 3.3 p -152.05 157.72 42.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.151 0.501 . . . . 0.0 112.044 -178.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.429 ' HA ' ' HB3' ' A' ' 30' ' ' MET . 1.7 m120 -55.89 -41.67 74.83 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.11 -0.95 . . . . 0.0 112.096 -178.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.502 HG22 ' CH2' ' A' ' 22' ' ' TRP . 30.6 p -151.73 158.18 43.03 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.646 -178.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.458 ' SG ' ' OG ' ' A' ' 13' ' ' SER . 82.8 m -154.24 156.1 36.44 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -178.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.3 m -50.95 139.13 17.91 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.196 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.479 ' HD3' ' O ' ' A' ' 18' ' ' LYS . 8.9 tmtt? -46.94 -43.43 19.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.088 0.471 . . . . 0.0 110.155 -179.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.502 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 0.9 OUTLIER -46.69 -39.77 12.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.17 179.337 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.435 ' HA ' ' O ' ' A' ' 34' ' ' LEU . 88.1 mt-30 -81.13 131.75 35.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.43 178.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.697 HD12 ' HE3' ' A' ' 38' ' ' TRP . 69.2 mt -73.26 124.37 30.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 C-N-CA 121.199 -0.201 . . . . 0.0 110.692 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.502 ' CH2' HG22 ' A' ' 15' ' ' THR . 10.8 m0 -79.14 52.57 1.32 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 178.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.5 ' O ' ' HB3' ' A' ' 32' ' ' CYS . . . -62.28 133.68 55.47 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.051 -179.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 3' ' ' LEU . 97.5 m -82.96 122.63 28.53 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.518 ' HB2' ' HB2' ' A' ' 3' ' ' LEU . 33.5 t -132.27 132.76 43.34 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.7 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 46.2 m170 -57.07 -34.29 68.13 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -79.02 37.29 1.94 Allowed Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.441 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.78 ' SG ' ' HB2' ' A' ' 6' ' ' CYS . 91.8 m -154.68 126.36 7.53 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -59.56 -42.5 92.55 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.429 ' HB3' ' HA ' ' A' ' 14' ' ' ASN . 25.2 mmt -109.26 -139.1 0.38 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.465 -1.243 . . . . 0.0 109.837 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -85.9 156.4 20.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.742 0.306 . . . . 0.0 110.816 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.5 ' HB3' ' O ' ' A' ' 23' ' ' ALA . 19.3 t -101.09 114.77 29.02 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 176.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.6 m -102.75 132.93 48.56 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.43 -176.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.899 HD22 ' CE2' ' A' ' 38' ' ' TRP . 1.5 mp -142.13 141.59 21.98 Favored Pre-proline 0 C--N 1.321 -0.645 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 179.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -45.1 145.58 3.18 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.602 2.201 . . . . 0.0 112.029 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' A' ' 19' ' ' THR . . . -52.08 -34.67 44.89 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.165 0.507 . . . . 0.0 109.819 179.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.1 m -60.99 -25.05 66.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.692 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.899 ' CE2' HD22 ' A' ' 34' ' ' LEU . 29.5 t90 -48.37 137.96 10.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.417 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -95.78 120.57 36.28 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.534 ' CG ' ' N ' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -82.42 -132.42 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 -179.639 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.534 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 28.4 mtpp . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.362 -0.828 . . . . 0.0 110.647 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.655 HD23 ' C ' ' A' ' 1' ' ' LEU . 4.7 tt . . . . . 0 N--CA 1.478 0.968 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.476 ' N ' HD23 ' A' ' 1' ' ' LEU . 64.7 t -132.46 136.65 55.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.499 ' CD1' HD21 ' A' ' 1' ' ' LEU . 7.2 mp -104.64 133.55 49.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.5 179.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -53.24 -32.83 50.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.774 0.797 . . . . 0.0 109.158 177.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -171.33 145.5 2.16 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.317 -1.311 . . . . 0.0 109.493 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.486 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . 14.5 t -71.79 118.48 67.05 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.713 -178.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.44 ' HD2' HD11 ' A' ' 34' ' ' LEU . 52.6 Cg_exo -54.84 133.01 55.29 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.689 2.259 . . . . 0.0 111.396 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.513 ' HD2' ' H ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -44.97 -35.04 2.69 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.301 -0.409 . . . . 0.0 112.078 -178.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.402 HG22 ' HB2' ' A' ' 7' ' ' PRO . 13.0 tt -59.94 -37.33 71.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.843 0.354 . . . . 0.0 110.586 -179.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.523 ' CA ' HD23 ' A' ' 34' ' ' LEU . . . -76.28 -162.57 13.62 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.895 -0.669 . . . . 0.0 113.045 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.403 ' CD1' ' C ' ' A' ' 10' ' ' GLY . 8.8 m-85 -154.35 147.3 24.52 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 55.7 m -93.06 121.74 34.72 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.1 m -151.38 157.24 42.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.083 0.468 . . . . 0.0 111.705 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -59.16 -28.0 66.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.078 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 38.1 p -149.4 145.34 26.91 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.307 -179.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 77.0 m -110.93 144.41 40.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.993 0.425 . . . . 0.0 111.244 -178.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.3 m -59.49 146.76 39.19 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.861 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.428 ' C ' ' H ' ' A' ' 20' ' ' GLN . 96.5 mttt -46.62 -42.91 16.92 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.773 0.32 . . . . 0.0 110.83 -179.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.4 m -78.07 37.95 0.27 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.249 0.547 . . . . 0.0 110.791 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.453 ' HA ' ' O ' ' A' ' 34' ' ' LEU . 84.5 mt-30 -153.24 140.56 19.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.652 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.772 HD12 ' HE3' ' A' ' 38' ' ' TRP . 63.2 mt -75.24 127.45 36.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.677 -0.238 . . . . 0.0 110.828 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 26.2 m95 -78.26 52.38 1.11 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.241 0.543 . . . . 0.0 109.72 178.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.465 ' O ' ' HB3' ' A' ' 32' ' ' CYS . . . -76.43 127.85 33.65 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.508 -179.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 p -83.94 122.86 29.31 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.501 ' OG ' ' SG ' ' A' ' 28' ' ' CYS . 16.1 p -102.06 150.47 23.21 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.103 0.477 . . . . 0.0 111.846 -178.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.473 ' O ' ' ND1' ' A' ' 26' ' ' HIS . 61.4 t-80 -83.66 39.67 0.69 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 178.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -178.33 37.79 0.08 OUTLIER Glycine 0 CA--C 1.52 0.38 0 C-N-CA 120.48 -0.867 . . . . 0.0 113.306 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.501 ' SG ' ' OG ' ' A' ' 25' ' ' SER . 9.1 m -131.45 142.84 50.08 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.566 0.222 . . . . 0.0 110.578 179.087 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -49.73 -35.45 22.18 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 93.6 mmm -144.04 -119.13 0.09 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.653 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -85.8 159.04 19.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.733 0.302 . . . . 0.0 110.737 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.465 ' HB3' ' O ' ' A' ' 23' ' ' ALA . 34.5 t -102.17 123.08 45.39 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 176.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.427 ' O ' ' CA ' ' A' ' 10' ' ' GLY . 41.8 m -101.96 131.04 48.59 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.107 -178.298 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.688 HD13 ' CE2' ' A' ' 38' ' ' TRP . 26.4 mt -142.11 137.55 15.94 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.45 -179.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -45.05 138.9 8.76 Favored 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 122.633 2.222 . . . . 0.0 111.778 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.11 -30.83 11.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.186 0.517 . . . . 0.0 110.114 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.9 t -61.54 -34.69 75.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.297 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.772 ' HE3' HD12 ' A' ' 21' ' ' ILE . 44.0 t90 -48.66 125.86 10.76 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.689 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.52 ' O ' ' HD2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -85.97 131.46 34.28 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.294 0.568 . . . . 0.0 109.556 178.743 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.577 ' CG ' ' N ' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -84.39 -131.27 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.247 -178.174 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.577 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 15.4 ptmm? . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.528 -0.748 . . . . 0.0 110.752 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.621 HD23 ' C ' ' A' ' 1' ' ' LEU . 5.0 tt . . . . . 0 N--CA 1.479 0.978 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.9 t -133.36 128.44 55.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.082 0.468 . . . . 0.0 111.556 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.466 HD12 ' CH2' ' A' ' 40' ' ' TRP . 6.8 mp -102.67 147.27 27.03 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.107 179.282 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -71.27 -33.58 69.9 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 177.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 22.9 p90 -163.89 152.1 13.11 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.645 -1.161 . . . . 0.0 109.223 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.614 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 37.3 t -72.6 116.89 54.29 Favored Pre-proline 0 C--N 1.321 -0.649 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -50.26 142.43 28.91 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.784 2.323 . . . . 0.0 112.461 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -47.85 -41.23 23.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.756 ' O ' HD13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -60.23 -35.61 63.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.28 0.562 . . . . 0.0 109.986 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.87 -178.44 52.36 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.309 -0.859 . . . . 0.0 112.918 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.511 ' CE1' ' SG ' ' A' ' 33' ' ' CYS . 32.7 p90 -154.9 137.63 15.27 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 178.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.614 ' SG ' ' HB2' ' A' ' 6' ' ' CYS . 84.7 m -92.92 135.46 34.13 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.372 0.606 . . . . 0.0 111.892 -177.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.7 m -152.13 156.06 39.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.933 -1.031 . . . . 0.0 109.077 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -53.73 -24.74 15.82 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.975 0.417 . . . . 0.0 110.434 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.1 p -151.1 135.86 17.24 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.449 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 81.9 m -111.78 146.86 36.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.415 -178.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.8 m -53.84 140.23 30.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.255 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.567 ' C ' ' H ' ' A' ' 20' ' ' GLN . 18.3 ptpt -51.59 -37.51 50.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.911 0.386 . . . . 0.0 110.512 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.5 t -70.01 17.31 0.06 Allowed 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.071 0.463 . . . . 0.0 110.49 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.567 ' H ' ' C ' ' A' ' 18' ' ' LYS . 74.2 mt-30 -139.27 145.54 39.3 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.588 179.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.674 HD12 ' HE3' ' A' ' 38' ' ' TRP . 68.2 mt -74.8 125.86 34.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.738 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -78.21 52.42 1.11 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 178.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.1 127.23 31.33 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.213 -0.903 . . . . 0.0 112.14 -178.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.5 m -74.91 136.1 41.43 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 177.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.517 ' OG ' ' HB2' ' A' ' 28' ' ' CYS . 3.4 p -132.43 130.86 41.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.287 0.565 . . . . 0.0 111.955 -178.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.456 ' C ' ' H ' ' A' ' 28' ' ' CYS . 63.1 m-70 -55.48 -50.33 70.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.513 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -73.29 28.76 0.83 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.44 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.517 ' HB2' ' OG ' ' A' ' 25' ' ' SER . 38.8 m -155.77 179.59 9.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.824 0.345 . . . . 0.0 110.791 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.724 ' HB3' ' SD ' ' A' ' 30' ' ' MET . 96.9 mttt -89.72 -121.51 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -178.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.724 ' SD ' ' HB3' ' A' ' 29' ' ' LYS . 2.4 mpp? -58.81 -35.98 73.74 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 -176.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.502 ' CG ' ' O ' ' A' ' 30' ' ' MET . 6.6 m-85 -165.28 166.3 18.87 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.814 0.816 . . . . 0.0 113.171 -179.303 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.503 ' HB2' ' OG ' ' A' ' 25' ' ' SER . 3.5 t -121.38 142.44 49.99 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 106.479 -1.674 . . . . 0.0 106.479 176.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.511 ' SG ' ' CE1' ' A' ' 11' ' ' TYR . 34.5 m -103.34 130.37 50.61 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.188 -178.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.667 HD13 ' CE2' ' A' ' 38' ' ' TRP . 18.2 mt -146.05 126.78 7.23 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.476 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.472 ' HD2' HD12 ' A' ' 9' ' ' ILE . 42.8 Cg_exo -53.44 145.4 46.4 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.204 1.936 . . . . 0.0 111.292 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.09 -32.4 6.75 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.063 0.459 . . . . 0.0 110.086 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.5 p -61.47 -31.76 71.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.147 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.674 ' HE3' HD12 ' A' ' 21' ' ' ILE . 45.8 t90 -49.85 134.81 20.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.693 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -88.98 117.04 27.71 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.91 0.386 . . . . 0.0 110.064 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.645 ' CE2' ' HG3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -77.67 -127.98 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.093 -179.841 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.645 ' HG3' ' CE2' ' A' ' 40' ' ' TRP . 40.0 mtmt . . . . . 0 C--O 1.252 1.19 0 CA-C-O 118.09 -0.957 . . . . 0.0 109.876 179.801 . . . . . . . . 1 1 . 1 stop_ save_