data_2lce_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 2lce _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.769 0 N-CA-C 109.819 -0.437 . . . . 1.0 109.819 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -61.78 -20.99 71.17 Favored 'Trans proline' 0 N--CA 1.498 1.761 0 C-N-CA 122.186 1.924 . . . . 1.0 112.025 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.455 ' O ' ' O ' ' A' ' 27' ' ' PHE . 61.6 m-85 -118.9 82.33 1.84 Allowed 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 121.568 0.699 . . . . 1.0 110.959 -179.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.08 152.18 44.7 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.545 0.688 . . . . 1.0 109.758 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.6 t -71.15 106.34 3.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.039 0.447 . . . . 1.0 111.18 -179.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -76.76 49.03 0.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.87 0.843 . . . . 1.0 109.998 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 83.6 mtt85 -142.22 -32.39 0.51 Allowed 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.687 -0.633 . . . . 1.0 110.366 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.7 p -139.72 -173.29 3.59 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.439 0.638 . . . . 1.0 109.908 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -67.21 -33.31 75.09 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.831 -0.543 . . . . 1.0 111.874 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -41.19 142.89 0.47 Allowed 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.43 0.633 . . . . 1.0 111.897 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.9 m -149.58 151.08 33.22 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.953 -0.467 . . . . 1.0 110.748 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.556 ' CD1' ' ND2' ' A' ' 32' ' ' ASN . 96.0 m-85 -148.49 157.62 43.58 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.332 0.587 . . . . 1.0 111.742 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -97.92 -5.83 33.54 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.906 -0.588 . . . . 1.0 111.154 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -118.92 146.52 44.88 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 121.395 0.617 . . . . 1.0 111.297 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.414 ' H ' ' HD3' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -74.81 -38.59 62.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.905 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.67 -38.53 95.78 Favored Glycine 0 C--N 1.329 0.165 0 N-CA-C 110.169 -1.173 . . . . 1.0 110.169 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.556 ' ND2' ' CD1' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -63.94 -38.42 91.03 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.456 -0.572 . . . . 1.0 109.456 179.524 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.93 -44.19 96.75 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.538 -0.541 . . . . 1.0 109.538 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.34 -39.41 93.0 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.438 -0.578 . . . . 1.0 109.438 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.7 t -62.34 -42.93 99.79 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.348 0.594 . . . . 1.0 109.481 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 72.5 t60 -66.93 -33.74 76.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.633 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.8 tttp . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.919 0.39 . . . . 1.0 111.048 -179.391 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 . . . . . 0 N--CA 1.472 0.659 0 CA-C-O 121.192 0.52 . . . . 1.0 110.978 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 78.1 ttt-85 -137.98 130.26 29.07 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.191 0.52 . . . . 1.0 109.672 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.411 ' O ' ' N ' ' A' ' 52' ' ' GLY . 20.9 t -80.05 108.77 13.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.215 0.531 . . . . 1.0 110.962 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -64.05 -32.73 74.39 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 116.164 -0.471 . . . . 1.0 111.234 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 28.0 mt -63.04 -47.87 90.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.077 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 36.0 m -105.66 -58.8 1.85 Allowed 'General case' 0 N--CA 1.476 0.825 0 O-C-N 121.983 -0.448 . . . . 1.0 110.524 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 48' ' ' CYS . . . 127.59 10.64 3.56 Favored Glycine 0 N--CA 1.475 1.274 0 N-CA-C 112.141 -0.384 . . . . 1.0 112.141 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.07 138.83 42.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 117.827 0.814 . . . . 1.0 111.417 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -101.23 135.4 42.77 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.113 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -132.42 143.74 50.02 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 122.346 1.07 . . . . 1.0 111.592 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 53.6 p-10 -102.08 -2.01 30.39 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.453 -0.794 . . . . 1.0 110.08 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -135.28 136.11 23.85 Favored Pre-proline 0 N--CA 1.479 0.982 0 O-C-N 121.983 -0.448 . . . . 1.0 111.044 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.27 -23.92 27.94 Favored 'Trans proline' 0 C--N 1.304 -1.814 0 C-N-CA 121.689 1.593 . . . . 1.0 112.008 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.48 -51.4 69.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.035 0.445 . . . . 1.0 110.152 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -63.17 -38.76 92.46 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.944 -0.391 . . . . 1.0 109.944 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.02 -42.39 97.14 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.405 -0.591 . . . . 1.0 109.405 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -59.06 -46.55 87.97 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 108.969 -0.752 . . . . 1.0 108.969 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.1 p -66.32 -31.24 71.91 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.541 -0.54 . . . . 1.0 109.541 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -71.19 -39.8 71.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.743 0.782 . . . . 1.0 109.247 179.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 50.0 p -62.39 -18.13 60.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.488 0.661 . . . . 1.0 109.554 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 73.4 ttp85 . . . . . 0 CA--C 1.534 0.364 0 CA-C-N 115.597 -0.729 . . . . 1.0 110.383 -179.51 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.0 mttp . . . . . 0 N--CA 1.47 0.544 0 N-CA-C 109.827 -0.434 . . . . 1.0 109.827 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.49 -12.6 20.57 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 121.962 1.775 . . . . 1.0 112.203 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.54 ' O ' ' O ' ' A' ' 27' ' ' PHE . 93.1 m-85 -103.91 101.67 11.46 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.11 0.481 . . . . 1.0 111.022 -179.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.8 pttt -141.26 151.35 43.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.359 0.6 . . . . 1.0 110.031 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.1 t -78.67 108.71 12.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.172 0.51 . . . . 1.0 111.463 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -63.65 -33.41 75.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.331 0.586 . . . . 1.0 109.93 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -67.47 -14.78 63.23 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.703 -0.623 . . . . 1.0 110.341 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 60.2 m -137.82 -168.26 2.3 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.379 0.609 . . . . 1.0 110.067 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -100.57 -26.75 13.72 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.822 -0.549 . . . . 1.0 111.481 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.18 157.11 0.09 Allowed 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.517 0.675 . . . . 1.0 111.678 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.8 t -137.26 147.23 45.59 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.944 -0.472 . . . . 1.0 110.774 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.54 ' O ' ' O ' ' A' ' 18' ' ' TYR . 97.7 m-85 -140.34 154.95 46.93 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 121.417 0.627 . . . . 1.0 111.776 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -96.4 -22.41 17.18 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.923 -0.58 . . . . 1.0 111.13 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.43 ' N ' ' CD1' ' A' ' 29' ' ' TYR . 39.1 m-85 -111.15 141.95 43.98 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 121.292 0.568 . . . . 1.0 111.073 -179.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -64.99 -38.3 90.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.961 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.44 -38.45 96.32 Favored Glycine 0 CA--C 1.52 0.394 0 N-CA-C 110.482 -1.047 . . . . 1.0 110.482 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -63.23 -38.93 93.11 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.507 -0.553 . . . . 1.0 109.507 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.28 -45.09 94.81 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.272 -0.64 . . . . 1.0 109.272 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.82 -36.7 82.97 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.235 -0.654 . . . . 1.0 109.235 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.8 t -62.9 -41.72 99.53 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.413 -0.588 . . . . 1.0 109.413 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -59.39 -39.89 84.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.542 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 97.2 mttt . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.801 0.334 . . . . 1.0 111.124 -179.538 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 . . . . . 0 N--CA 1.472 0.663 0 CA-C-O 121.272 0.558 . . . . 1.0 110.891 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.453 HH22 HE21 ' A' ' 54' ' ' GLN . 62.4 ttm-85 -139.5 135.23 33.28 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.148 -0.478 . . . . 1.0 109.857 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 52' ' ' GLY . 18.3 t -78.38 109.27 12.39 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.604 0.716 . . . . 1.0 111.078 -179.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -60.25 -38.18 82.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.773 -0.648 . . . . 1.0 110.861 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 17.9 mt -62.11 -45.38 98.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.149 0.5 . . . . 1.0 111.067 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 73.5 m -103.34 -66.44 0.94 Allowed 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.958 -0.464 . . . . 1.0 110.65 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 48' ' ' CYS . . . 121.31 31.67 1.14 Allowed Glycine 0 N--CA 1.474 1.167 0 N-CA-C 111.976 -0.45 . . . . 1.0 111.976 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.34 152.93 19.51 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 117.803 0.802 . . . . 1.0 111.308 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.453 HE21 HH22 ' A' ' 47' ' ' ARG . 88.5 mt-30 -94.23 140.77 29.35 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.173 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -133.26 149.03 51.98 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 122.138 0.97 . . . . 1.0 111.737 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -108.45 -6.1 16.31 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 115.632 -0.713 . . . . 1.0 110.306 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.512 HH21 HD22 ' A' ' 60' ' ' ASN . 51.7 mtm180 -145.13 143.29 19.98 Favored Pre-proline 0 N--CA 1.477 0.889 0 CA-C-O 119.19 -0.433 . . . . 1.0 110.861 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -70.15 -23.73 28.7 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 121.779 1.653 . . . . 1.0 111.932 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.92 -30.18 71.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.165 0.507 . . . . 1.0 110.191 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.512 HD22 HH21 ' A' ' 57' ' ' ARG . 10.3 m120 -66.69 -33.27 75.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.22 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.477 ' N ' ' CD2' ' A' ' 61' ' ' LEU . 3.3 mm? -63.41 -41.05 98.71 Favored 'General case' 0 CA--C 1.51 -0.593 0 N-CA-C 109.275 -0.639 . . . . 1.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -60.29 -42.98 96.6 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-O 121.896 0.855 . . . . 1.0 109.274 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 19.3 m -70.83 -43.72 67.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.375 -0.83 . . . . 1.0 110.104 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -64.14 -45.56 87.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.464 -0.789 . . . . 1.0 109.601 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.0 p -52.06 -42.02 62.81 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 119.976 -0.69 . . . . 1.0 109.684 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 62.9 ttt-85 . . . . . 0 N--CA 1.471 0.581 0 CA-C-O 121.159 0.504 . . . . 1.0 110.854 179.607 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.7 mptt . . . . . 0 N--CA 1.474 0.746 0 N-CA-C 109.82 -0.437 . . . . 1.0 109.82 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -75.69 -10.69 20.18 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 121.746 1.63 . . . . 1.0 111.988 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.487 ' O ' ' O ' ' A' ' 27' ' ' PHE . 86.7 m-85 -112.11 102.48 10.68 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 121.548 0.69 . . . . 1.0 111.168 -179.412 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -140.94 152.53 45.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.573 0.701 . . . . 1.0 109.729 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.6 t -78.78 108.23 12.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.113 0.483 . . . . 1.0 111.403 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -64.35 -34.01 77.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.456 0.646 . . . . 1.0 109.913 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 85.5 mtt85 -66.36 -19.24 65.75 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.685 -0.634 . . . . 1.0 110.328 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 78.2 m -131.5 -170.91 2.47 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.305 0.574 . . . . 1.0 110.14 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -99.42 -25.27 14.52 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.806 -0.559 . . . . 1.0 111.512 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.1 172.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.34 0.59 . . . . 1.0 111.655 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.8 p -151.48 156.25 40.2 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 121.972 -0.455 . . . . 1.0 110.649 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.487 ' O ' ' O ' ' A' ' 18' ' ' TYR . 97.7 m-85 -148.96 152.72 36.84 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.449 0.642 . . . . 1.0 111.677 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -93.95 -18.75 21.59 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.769 -0.65 . . . . 1.0 111.207 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' A' ' 29' ' ' TYR . 39.4 m-85 -114.97 141.06 48.49 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 121.227 0.537 . . . . 1.0 111.235 -179.195 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -64.83 -38.05 89.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.946 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.78 -37.12 94.22 Favored Glycine 0 CA--C 1.518 0.25 0 N-CA-C 110.318 -1.113 . . . . 1.0 110.318 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.41 ' O ' ' OG ' ' A' ' 35' ' ' SER . 90.6 m-20 -63.04 -38.95 93.23 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.191 -0.67 . . . . 1.0 109.191 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.15 -42.9 99.7 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.569 -0.53 . . . . 1.0 109.569 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.87 -38.98 90.24 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 109.296 -0.631 . . . . 1.0 109.296 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' A' ' 32' ' ' ASN . 25.8 p -60.44 -36.95 79.43 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.539 -0.541 . . . . 1.0 109.539 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -68.35 -36.06 78.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.688 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 120.938 0.399 . . . . 1.0 111.036 -179.196 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 . . . . . 0 CA--C 1.522 -0.119 0 CA-C-O 121.416 0.627 . . . . 1.0 111.249 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.629 HH12 HE21 ' A' ' 54' ' ' GLN . 60.6 ttm-85 -138.24 132.04 31.13 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.308 0.575 . . . . 1.0 109.88 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.5 t -79.33 108.75 13.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.551 0.691 . . . . 1.0 111.258 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -62.95 -38.49 91.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.833 -0.621 . . . . 1.0 110.843 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.1 mp -64.78 -45.0 96.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.001 0.429 . . . . 1.0 111.44 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 81.1 m -102.86 -72.13 0.7 Allowed 'General case' 0 N--CA 1.469 0.481 0 O-C-N 122.009 -0.432 . . . . 1.0 110.34 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 140.06 2.22 1.65 Allowed Glycine 0 N--CA 1.47 0.904 0 N-CA-C 112.122 -0.391 . . . . 1.0 112.122 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.4 147.5 47.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.721 0.772 . . . . 1.0 111.497 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.629 HE21 HH12 ' A' ' 47' ' ' ARG . 86.5 mt-30 -101.31 136.06 41.78 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.782 -0.645 . . . . 1.0 109.923 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -129.7 134.2 47.51 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-O 121.913 0.863 . . . . 1.0 111.6 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -98.7 6.55 46.89 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.468 0.651 . . . . 1.0 109.948 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -137.67 132.76 17.59 Favored Pre-proline 0 CA--C 1.544 0.737 0 O-C-N 122.011 -0.431 . . . . 1.0 111.072 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -70.44 -30.19 19.49 Favored 'Trans proline' 0 N--CA 1.499 1.815 0 C-N-CA 121.822 1.681 . . . . 1.0 112.102 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.25 -41.61 98.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.484 -0.325 . . . . 1.0 110.177 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -64.49 -40.25 95.31 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.745 -0.465 . . . . 1.0 109.745 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.53 -42.0 98.46 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.315 -0.624 . . . . 1.0 109.315 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.421 ' O ' ' OG1' ' A' ' 65' ' ' THR . 87.7 tttt -59.31 -47.77 84.14 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.006 -0.739 . . . . 1.0 109.006 179.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.0 m -64.03 -33.41 75.67 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 116.046 -0.525 . . . . 1.0 109.745 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -69.63 -40.72 76.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.779 0.8 . . . . 1.0 109.337 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 62' ' ' LYS . 51.9 p -61.67 -17.96 57.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.352 0.596 . . . . 1.0 109.752 179.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 115.7 -0.682 . . . . 1.0 110.323 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp . . . . . 0 N--CA 1.473 0.688 0 N-CA-C 109.994 -0.373 . . . . 1.0 109.994 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -79.65 1.45 9.2 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.148 1.899 . . . . 1.0 112.119 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.413 ' O ' ' O ' ' A' ' 27' ' ' PHE . 78.9 m-85 -136.79 79.95 1.79 Allowed 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 121.323 0.582 . . . . 1.0 110.681 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.412 ' HD2' ' H ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -120.56 137.02 54.62 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 122.039 0.923 . . . . 1.0 109.686 -179.863 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 23.0 t -64.92 102.54 0.61 Allowed 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.969 -178.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -68.86 -21.1 64.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.565 0.698 . . . . 1.0 109.8 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -67.77 -38.21 83.12 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 121.775 -0.578 . . . . 1.0 110.488 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 75.6 m -115.84 -164.95 0.99 Allowed 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.475 0.655 . . . . 1.0 109.953 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -96.25 -23.66 16.59 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 121.78 -0.575 . . . . 1.0 111.375 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.88 175.0 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.705 0.764 . . . . 1.0 111.481 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.417 ' O ' ' CG ' ' A' ' 27' ' ' PHE . 24.3 t -155.45 156.65 35.66 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 121.868 -0.52 . . . . 1.0 110.791 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.417 ' CG ' ' O ' ' A' ' 26' ' ' SER . 99.7 m-85 -155.03 154.09 31.95 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.426 0.631 . . . . 1.0 111.702 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -96.01 -18.1 20.48 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.896 -0.593 . . . . 1.0 111.413 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -109.62 137.67 47.1 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.166 0.508 . . . . 1.0 111.037 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -68.28 -35.83 78.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.327 -0.397 . . . . 1.0 111.195 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.16 -36.96 93.9 Favored Glycine 0 CA--C 1.519 0.32 0 N-CA-C 110.364 -1.094 . . . . 1.0 110.364 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.414 ' ND2' ' CD1' ' A' ' 27' ' ' PHE . 42.5 t-20 -63.17 -36.55 84.01 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.33 -0.619 . . . . 1.0 109.33 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.59 -39.83 95.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.04 -0.527 . . . . 1.0 109.662 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.51 -38.38 89.69 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 109.187 -0.672 . . . . 1.0 109.187 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.8 t -63.59 -43.19 97.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.195 0.521 . . . . 1.0 109.614 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -74.7 -34.23 62.58 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.772 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.6 tttm . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.041 0.448 . . . . 1.0 111.231 -179.344 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 . . . . . 0 N--CA 1.472 0.666 0 CA-C-O 121.31 0.576 . . . . 1.0 111.105 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 49.1 ptt85 -134.84 147.02 49.81 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.284 0.564 . . . . 1.0 110.004 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.91 140.76 38.02 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 121.187 0.518 . . . . 1.0 111.118 -179.133 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -75.2 -9.71 58.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.953 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 75.4 mt -85.08 -66.06 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-O 120.907 0.384 . . . . 1.0 111.12 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.518 ' SG ' ' N ' ' A' ' 52' ' ' GLY . 28.9 p -94.74 -53.0 4.03 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 122.015 -0.428 . . . . 1.0 110.67 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.518 ' N ' ' SG ' ' A' ' 51' ' ' CYS . . . 120.75 20.73 3.41 Favored Glycine 0 N--CA 1.474 1.195 0 N-CA-C 111.992 -0.443 . . . . 1.0 111.992 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.62 -177.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 117.864 0.832 . . . . 1.0 111.439 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -146.01 138.51 25.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.012 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -149.62 137.74 20.5 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.843 0.83 . . . . 1.0 111.74 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -94.72 3.65 54.78 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.579 0.704 . . . . 1.0 110.051 179.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -143.07 142.37 21.66 Favored Pre-proline 0 N--CA 1.473 0.698 0 O-C-N 122.009 -0.432 . . . . 1.0 110.704 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.83 -31.99 14.84 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 121.706 1.604 . . . . 1.0 112.145 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.51 -47.36 84.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.349 . . . . 1.0 110.167 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 60.5 t-20 -64.06 -34.03 77.11 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.803 -0.443 . . . . 1.0 109.803 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 tt -61.94 -45.84 91.93 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.014 -0.736 . . . . 1.0 109.014 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.404 ' O ' ' OG1' ' A' ' 65' ' ' THR . 38.8 ttpt -61.5 -40.86 96.12 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.222 -0.659 . . . . 1.0 109.222 179.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 25.1 m -67.03 -26.08 66.6 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.878 -0.601 . . . . 1.0 109.719 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.401 ' C ' ' N ' ' A' ' 66' ' ' ARG . 28.2 t60 -82.97 -41.76 18.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.648 0.737 . . . . 1.0 109.281 179.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 62' ' ' LYS . 54.6 p -52.02 -18.17 1.3 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.382 0.61 . . . . 1.0 109.653 179.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.401 ' N ' ' C ' ' A' ' 64' ' ' HIS . 96.9 mtt180 . . . . . 0 CA--C 1.533 0.309 0 CA-C-N 115.645 -0.707 . . . . 1.0 110.189 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.0 mttt . . . . . 0 N--CA 1.468 0.453 0 N-CA-C 109.89 -0.411 . . . . 1.0 109.89 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -73.72 -14.0 24.45 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.165 1.91 . . . . 1.0 112.196 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.514 ' O ' ' O ' ' A' ' 27' ' ' PHE . 79.3 m-85 -105.71 109.63 21.65 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.009 0.433 . . . . 1.0 110.925 -179.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -142.23 152.59 43.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.152 0.501 . . . . 1.0 110.089 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.1 t -75.46 110.41 9.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.309 0.576 . . . . 1.0 111.253 -179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 22' ' ' ARG . 47.2 p-10 -61.36 -32.65 72.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.56 0.695 . . . . 1.0 110.041 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.488 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 0.5 OUTLIER -67.79 -44.63 76.95 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.711 -0.618 . . . . 1.0 110.221 179.811 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 58.7 m -108.81 -141.63 0.38 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.982 0.42 . . . . 1.0 110.482 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -133.53 -21.83 1.97 Allowed 'General case' 0 N--CA 1.47 0.573 0 O-C-N 121.74 -0.6 . . . . 1.0 111.435 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.51 98.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.549 0.69 . . . . 1.0 111.787 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.3 m -73.39 141.35 46.99 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.887 -0.508 . . . . 1.0 110.957 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.558 ' CD1' ' ND2' ' A' ' 32' ' ' ASN . 70.3 m-85 -128.55 147.17 50.68 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-O 121.431 0.634 . . . . 1.0 111.92 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -96.26 -0.93 49.07 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.615 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -130.16 137.49 50.14 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.112 0.482 . . . . 1.0 111.099 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -67.74 -33.21 74.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.35 -0.386 . . . . 1.0 111.101 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -66.76 -36.51 91.31 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.134 -1.186 . . . . 1.0 110.134 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.558 ' ND2' ' CD1' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -64.51 -40.54 95.83 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.558 -0.534 . . . . 1.0 109.558 179.645 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.7 -44.5 93.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.461 0.648 . . . . 1.0 109.497 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.37 -39.28 93.56 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.37 -0.604 . . . . 1.0 109.37 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.7 t -61.45 -43.26 99.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.371 0.605 . . . . 1.0 109.483 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -65.88 -35.01 79.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.812 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt . . . . . 0 C--N 1.33 -0.274 0 CA-C-O 121.024 0.44 . . . . 1.0 110.978 -179.224 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 . . . . . 0 N--CA 1.473 0.687 0 CA-C-O 121.381 0.61 . . . . 1.0 111.027 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.612 HH22 ' NE2' ' A' ' 54' ' ' GLN . 60.9 ttm-85 -139.64 136.86 34.76 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.243 0.544 . . . . 1.0 109.677 179.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.2 t -76.4 114.03 14.65 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.783 0.801 . . . . 1.0 110.884 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -63.63 -35.6 81.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.552 -0.749 . . . . 1.0 110.956 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 26.7 mt -62.48 -43.81 98.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.911 0.386 . . . . 1.0 111.032 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 23.8 m -113.83 -70.53 0.8 Allowed 'General case' 0 N--CA 1.474 0.731 0 O-C-N 122.06 -0.4 . . . . 1.0 110.681 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 140.62 12.27 0.59 Allowed Glycine 0 CA--C 1.531 1.076 0 N-CA-C 112.034 -0.426 . . . . 1.0 112.034 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.09 139.78 54.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 117.882 0.841 . . . . 1.0 111.581 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.612 ' NE2' HH22 ' A' ' 47' ' ' ARG . 77.9 mt-30 -92.94 142.95 26.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.126 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -132.28 138.29 47.8 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 121.984 0.897 . . . . 1.0 111.818 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -90.23 -13.49 35.32 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.587 0.708 . . . . 1.0 110.29 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 62.9 mtt85 -143.69 146.06 33.57 Favored Pre-proline 0 N--CA 1.475 0.793 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.657 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -68.55 -27.94 32.35 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 121.654 1.569 . . . . 1.0 111.917 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.25 -40.2 93.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 1.0 110.141 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -63.98 -38.21 90.23 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.902 -0.407 . . . . 1.0 109.902 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.21 -42.98 99.79 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.048 -0.723 . . . . 1.0 109.048 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.6 ttmm -54.11 -39.55 66.5 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.091 -0.707 . . . . 1.0 109.091 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.6 m -66.24 -35.28 80.0 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.832 -0.622 . . . . 1.0 109.646 179.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -73.63 -42.87 60.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.582 0.706 . . . . 1.0 109.732 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.3 p -55.77 -33.89 64.76 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.499 -0.556 . . . . 1.0 109.499 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 60.7 ttt85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.172 179.665 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? . . . . . 0 N--CA 1.473 0.724 0 N-CA-C 109.64 -0.504 . . . . 1.0 109.64 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -75.09 -14.12 21.04 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 121.809 1.673 . . . . 1.0 111.937 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.505 ' O ' ' O ' ' A' ' 27' ' ' PHE . 81.2 m-85 -114.09 103.28 10.97 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 121.574 0.702 . . . . 1.0 111.234 -179.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -141.02 152.08 44.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.516 0.674 . . . . 1.0 109.849 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.4 t -80.83 106.58 12.94 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.987 -0.446 . . . . 1.0 111.3 -179.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -63.31 -27.57 69.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.532 0.682 . . . . 1.0 109.967 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -69.08 -17.96 63.93 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 121.739 -0.601 . . . . 1.0 110.586 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 34.3 m -136.86 -172.99 3.31 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.334 0.587 . . . . 1.0 110.07 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -96.7 -15.99 21.14 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.815 -0.553 . . . . 1.0 111.758 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.13 150.65 20.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.707 0.765 . . . . 1.0 111.536 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.8 m -131.97 152.35 51.17 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.832 -0.543 . . . . 1.0 110.882 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.505 ' O ' ' O ' ' A' ' 18' ' ' TYR . 97.4 m-85 -143.83 150.71 38.91 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 121.363 0.601 . . . . 1.0 111.716 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.451 ' NH2' ' CE2' ' A' ' 29' ' ' TYR . 63.2 ttp85 -91.2 -17.44 26.04 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.929 -0.578 . . . . 1.0 111.042 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.451 ' CE2' ' NH2' ' A' ' 28' ' ' ARG . 17.5 m-85 -112.8 146.85 38.1 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-O 121.386 0.612 . . . . 1.0 111.242 -179.077 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -72.11 -35.12 69.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.293 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.71 -35.86 86.43 Favored Glycine 0 CA--C 1.518 0.278 0 N-CA-C 110.361 -1.095 . . . . 1.0 110.361 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -62.83 -38.98 92.91 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.17 -0.678 . . . . 1.0 109.17 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.88 -44.4 97.13 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.496 -0.557 . . . . 1.0 109.496 -179.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.05 -37.04 80.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.31 0.576 . . . . 1.0 109.53 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.4 t -60.73 -41.08 94.59 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.43 -0.581 . . . . 1.0 109.43 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 39.0 t60 -66.71 -41.54 87.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.574 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.5 tttp . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 121.053 0.454 . . . . 1.0 111.151 -178.874 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 . . . . . 0 N--CA 1.475 0.789 0 CA-C-O 121.424 0.631 . . . . 1.0 110.709 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -138.93 138.92 37.79 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.004 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.4 t -75.7 118.37 18.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.553 0.692 . . . . 1.0 110.988 -179.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -70.03 -26.57 64.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.827 -0.624 . . . . 1.0 111.015 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.453 ' N ' ' CD1' ' A' ' 50' ' ' ILE . 1.9 mp -62.76 -43.91 99.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.104 -178.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 52' ' ' GLY . 11.9 p -123.17 -61.86 1.38 Allowed 'General case' 0 N--CA 1.473 0.703 0 O-C-N 122.086 -0.383 . . . . 1.0 110.5 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.45 ' N ' ' SG ' ' A' ' 51' ' ' CYS . . . 144.38 6.54 0.53 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.99 -0.444 . . . . 1.0 111.99 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.83 137.99 58.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 117.76 0.78 . . . . 1.0 111.572 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -100.01 141.81 32.33 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.794 -0.639 . . . . 1.0 110.267 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -132.21 146.33 51.94 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 121.858 0.837 . . . . 1.0 111.78 -179.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -92.77 -9.68 39.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.366 0.603 . . . . 1.0 109.886 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 -144.33 144.66 26.39 Favored Pre-proline 0 CA--C 1.542 0.666 0 O-C-N 122.083 -0.385 . . . . 1.0 110.885 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.91 -28.85 35.41 Favored 'Trans proline' 0 N--CA 1.5 1.871 0 C-N-CA 121.846 1.697 . . . . 1.0 111.972 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.96 -45.47 86.65 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.022 -0.362 . . . . 1.0 110.022 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -63.85 -35.54 80.96 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.916 -0.402 . . . . 1.0 109.916 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.65 -45.21 93.87 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.256 -0.646 . . . . 1.0 109.256 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.404 ' O ' ' OG1' ' A' ' 65' ' ' THR . 55.8 mtmt -61.6 -41.35 97.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.566 0.698 . . . . 1.0 109.418 179.397 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 97.9 m -68.09 -27.15 66.23 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.684 -0.689 . . . . 1.0 109.79 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -81.5 -38.53 26.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.628 0.728 . . . . 1.0 109.431 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 62' ' ' LYS . 77.4 p -58.1 -30.43 66.26 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.429 -0.582 . . . . 1.0 109.429 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 . . . . . 0 N--CA 1.452 -0.353 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.261 178.876 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt . . . . . 0 N--CA 1.471 0.599 0 N-CA-C 109.855 -0.424 . . . . 1.0 109.855 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -73.73 -17.94 22.58 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.05 1.833 . . . . 1.0 112.31 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.539 ' O ' ' O ' ' A' ' 27' ' ' PHE . 95.7 m-85 -96.09 107.4 19.71 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 121.297 0.57 . . . . 1.0 110.759 -179.235 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -140.48 152.04 45.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.448 0.642 . . . . 1.0 109.691 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.6 t -81.01 99.89 8.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.199 0.523 . . . . 1.0 111.126 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -57.74 -31.97 66.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.666 0.746 . . . . 1.0 109.894 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -69.26 -19.88 63.93 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.707 -0.62 . . . . 1.0 110.424 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 84.0 m -133.49 -163.46 1.36 Allowed 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.462 0.649 . . . . 1.0 110.038 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.498 ' H ' ' CD ' ' A' ' 24' ' ' GLN . 3.0 pm0 -110.03 -3.17 16.63 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 121.715 -0.615 . . . . 1.0 111.489 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.24 145.02 54.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.665 0.745 . . . . 1.0 111.427 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.5 p -118.47 141.94 48.07 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.898 -0.501 . . . . 1.0 110.915 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.539 ' O ' ' O ' ' A' ' 18' ' ' TYR . 95.9 m-85 -132.47 150.06 52.22 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 121.555 0.693 . . . . 1.0 111.995 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -95.8 -20.1 19.11 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.651 -0.704 . . . . 1.0 111.213 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.42 ' N ' ' CD1' ' A' ' 29' ' ' TYR . 44.8 m-85 -114.83 145.27 42.33 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 121.39 0.614 . . . . 1.0 111.066 -179.029 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -66.85 -38.24 86.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.502 . . . . 1.0 111.05 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.27 -37.03 94.23 Favored Glycine 0 CA--C 1.518 0.268 0 N-CA-C 110.267 -1.133 . . . . 1.0 110.267 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -62.8 -39.47 94.36 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.379 -0.6 . . . . 1.0 109.379 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.01 -43.99 93.97 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 121.45 0.643 . . . . 1.0 109.576 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.44 -36.28 78.81 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.44 -0.578 . . . . 1.0 109.44 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.3 t -58.66 -42.07 87.56 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.313 -0.625 . . . . 1.0 109.313 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -66.62 -35.69 80.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.409 -0.36 . . . . 1.0 110.76 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.0 tptt . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 121.146 0.498 . . . . 1.0 111.239 -179.377 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 . . . . . 0 N--CA 1.475 0.794 0 CA-C-O 121.489 0.662 . . . . 1.0 111.114 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -137.85 124.81 21.32 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.452 0.644 . . . . 1.0 109.906 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.88 110.36 8.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.508 0.67 . . . . 1.0 111.066 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 41.7 p-10 -72.6 -25.03 61.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.976 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.1 mp -62.62 -47.98 90.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 1.0 111.513 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.504 ' SG ' ' N ' ' A' ' 52' ' ' GLY . 26.3 p -115.58 -57.07 2.28 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 122.074 -0.392 . . . . 1.0 110.606 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.504 ' N ' ' SG ' ' A' ' 51' ' ' CYS . . . 143.78 -3.38 1.54 Allowed Glycine 0 N--CA 1.47 0.946 0 N-CA-C 112.126 -0.39 . . . . 1.0 112.126 179.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.22 173.45 0.07 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.719 0.771 . . . . 1.0 111.667 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -137.59 145.38 42.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.735 -0.666 . . . . 1.0 110.148 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -150.86 152.53 33.84 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.912 0.863 . . . . 1.0 111.719 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -98.28 2.07 47.81 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.519 0.676 . . . . 1.0 109.983 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -140.82 139.91 20.75 Favored Pre-proline 0 N--CA 1.478 0.935 0 O-C-N 121.988 -0.445 . . . . 1.0 110.931 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.69 -33.39 8.3 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 121.466 1.444 . . . . 1.0 112.138 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.89 -45.45 92.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.965 0.412 . . . . 1.0 110.073 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.1 t-20 -63.44 -27.3 69.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.14 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 tt -61.4 -48.96 78.81 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.076 -0.712 . . . . 1.0 109.076 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -63.62 -43.5 96.65 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.195 -0.668 . . . . 1.0 109.195 179.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 10.7 m -63.37 -34.46 77.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.925 -0.58 . . . . 1.0 109.62 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.439 ' C ' ' N ' ' A' ' 66' ' ' ARG . 1.5 t60 -72.43 -50.02 29.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.767 0.794 . . . . 1.0 109.14 179.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.9 p -48.57 -18.14 0.22 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.952 0.882 . . . . 1.0 109.941 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.439 ' N ' ' C ' ' A' ' 64' ' ' HIS . 59.4 ttp180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 115.109 -0.95 . . . . 1.0 110.414 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 96.7 mttt . . . . . 0 N--CA 1.471 0.61 0 N-CA-C 109.536 -0.542 . . . . 1.0 109.536 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -77.37 -11.25 17.44 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.239 1.959 . . . . 1.0 112.063 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.511 ' O ' ' O ' ' A' ' 27' ' ' PHE . 68.2 m-85 -116.56 104.71 11.68 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.418 0.628 . . . . 1.0 110.956 -179.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -141.76 153.48 44.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.438 0.637 . . . . 1.0 109.826 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.6 t -76.58 111.2 11.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.972 0.415 . . . . 1.0 111.315 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' A' ' 22' ' ' ARG . 48.0 p-10 -66.11 -31.99 73.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.464 0.649 . . . . 1.0 109.955 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.451 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 75.2 ttt180 -68.0 -41.88 81.61 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.68 -0.638 . . . . 1.0 110.428 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 72.0 m -107.18 -171.56 1.91 Allowed 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.365 0.603 . . . . 1.0 110.128 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -99.66 -20.21 16.42 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.749 -0.595 . . . . 1.0 111.442 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.46 160.22 0.88 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.608 0.718 . . . . 1.0 111.494 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.5 t -139.64 145.78 38.9 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.919 -0.488 . . . . 1.0 110.719 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.511 ' O ' ' O ' ' A' ' 18' ' ' TYR . 98.9 m-85 -132.47 153.43 50.89 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 121.41 0.624 . . . . 1.0 111.828 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 91.2 mtm180 -96.27 -3.66 43.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.826 -0.624 . . . . 1.0 110.989 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -131.92 146.59 52.2 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 121.417 0.627 . . . . 1.0 111.036 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -70.41 -35.36 73.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.96 -0.563 . . . . 1.0 111.363 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.44 -37.83 94.21 Favored Glycine 0 CA--C 1.517 0.198 0 N-CA-C 110.192 -1.163 . . . . 1.0 110.192 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -63.43 -39.19 93.82 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.338 -0.616 . . . . 1.0 109.338 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.84 -43.51 98.71 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.469 -0.567 . . . . 1.0 109.469 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.75 -37.18 81.79 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 109.395 -0.594 . . . . 1.0 109.395 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.1 t -61.55 -39.24 90.37 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.195 0.521 . . . . 1.0 109.641 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -66.36 -35.45 80.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.862 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.1 pttp . . . . . 0 N--CA 1.468 0.463 0 CA-C-O 121.573 0.701 . . . . 1.0 111.56 -179.22 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 . . . . . 0 N--CA 1.475 0.817 0 CA-C-O 121.589 0.709 . . . . 1.0 111.081 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -139.32 140.38 37.54 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.882 -0.599 . . . . 1.0 109.868 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.0 t -79.17 114.64 18.27 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.511 0.672 . . . . 1.0 110.923 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 -65.73 -33.39 75.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.821 -0.627 . . . . 1.0 111.174 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 30.9 mt -63.45 -43.19 98.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-O 121.03 0.443 . . . . 1.0 111.066 -179.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 16.3 m -115.76 -70.54 0.79 Allowed 'General case' 0 N--CA 1.475 0.815 0 O-C-N 122.019 -0.425 . . . . 1.0 110.472 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.467 ' O ' ' NE2' ' A' ' 54' ' ' GLN . . . 143.05 12.84 0.36 Allowed Glycine 0 CA--C 1.531 1.064 0 N-CA-C 112.041 -0.424 . . . . 1.0 112.041 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.2 137.89 51.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 117.827 0.813 . . . . 1.0 111.642 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.467 ' NE2' ' O ' ' A' ' 52' ' ' GLY . 21.3 mp0 -92.99 144.34 25.35 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.958 -0.564 . . . . 1.0 110.101 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -134.76 140.37 45.86 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 121.77 0.795 . . . . 1.0 111.905 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -92.07 3.21 55.76 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.556 0.693 . . . . 1.0 109.909 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.578 HH11 HD22 ' A' ' 60' ' ' ASN . 7.3 ptp85 -166.8 147.76 5.26 Favored Pre-proline 0 CA--C 1.543 0.694 0 O-C-N 122.006 -0.434 . . . . 1.0 110.508 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.82 -27.26 44.11 Favored 'Trans proline' 0 N--CA 1.497 1.729 0 C-N-CA 122.186 1.924 . . . . 1.0 111.925 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.22 -46.73 79.38 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 110.111 -0.329 . . . . 1.0 110.111 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.578 HD22 HH11 ' A' ' 57' ' ' ARG . 98.2 m-20 -65.54 -38.78 90.59 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.938 -0.393 . . . . 1.0 109.938 179.357 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 64' ' ' HIS . 1.3 tt -63.56 -49.36 73.74 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.034 -0.728 . . . . 1.0 109.034 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.431 ' O ' ' OG1' ' A' ' 65' ' ' THR . 19.8 mmmt -45.45 -43.1 11.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.683 0.754 . . . . 1.0 109.676 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.2 m -63.51 -37.51 87.6 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.646 -0.706 . . . . 1.0 109.518 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.457 ' N ' ' O ' ' A' ' 61' ' ' LEU . 79.7 t60 -71.39 -39.55 71.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.799 0.809 . . . . 1.0 109.542 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 62' ' ' LYS . 72.1 p -60.91 -33.15 72.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.901 -0.591 . . . . 1.0 109.42 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.173 179.62 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.646 0 N-CA-C 109.504 -0.554 . . . . 1.0 109.504 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -77.42 -17.27 14.72 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.116 1.877 . . . . 1.0 112.017 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.461 ' O ' ' O ' ' A' ' 27' ' ' PHE . 91.8 m-85 -105.79 111.32 23.94 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 121.606 0.717 . . . . 1.0 111.004 -179.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -142.09 141.0 32.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.642 0.734 . . . . 1.0 109.789 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.4 t -67.97 112.67 5.11 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.067 0.461 . . . . 1.0 110.97 -178.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' A' ' 22' ' ' ARG . 33.6 p30 -66.19 -32.97 74.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.574 0.702 . . . . 1.0 110.008 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.505 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 8.1 tpm_? -67.66 -21.77 65.34 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.652 -0.655 . . . . 1.0 110.654 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 74.3 m -126.63 -174.67 3.19 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.493 0.663 . . . . 1.0 109.942 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -104.9 1.07 28.54 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.788 -0.57 . . . . 1.0 111.434 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.07 -178.09 0.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.455 0.645 . . . . 1.0 111.46 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.414 ' C ' ' CD1' ' A' ' 27' ' ' PHE . 35.7 p -149.39 156.12 41.55 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.911 -0.493 . . . . 1.0 110.73 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.461 ' O ' ' O ' ' A' ' 18' ' ' TYR . 96.5 m-85 -151.48 152.55 33.16 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.35 0.595 . . . . 1.0 111.544 -179.381 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -95.8 -19.21 19.79 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.925 -0.579 . . . . 1.0 111.213 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -118.02 138.91 51.89 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 121.246 0.546 . . . . 1.0 111.273 -179.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -67.22 -34.98 78.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.937 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.7 -34.86 90.08 Favored Glycine 0 CA--C 1.518 0.229 0 N-CA-C 110.317 -1.113 . . . . 1.0 110.317 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -63.33 -38.24 90.4 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 108.869 -0.789 . . . . 1.0 108.869 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.66 -42.36 99.58 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.775 -0.454 . . . . 1.0 109.775 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.84 90.18 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 109.235 -0.654 . . . . 1.0 109.235 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 55.7 m -62.74 -43.6 98.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.281 0.563 . . . . 1.0 109.762 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -72.83 -34.91 67.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.692 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.4 tttp . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 121.072 0.463 . . . . 1.0 111.201 -179.211 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 . . . . . 0 N--CA 1.472 0.664 0 CA-C-O 121.418 0.628 . . . . 1.0 110.95 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.519 HH21 ' NE2' ' A' ' 54' ' ' GLN . 42.6 ttm180 -139.32 140.68 37.63 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.976 -0.556 . . . . 1.0 109.75 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 20.0 t -79.8 111.61 16.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.582 0.706 . . . . 1.0 111.025 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -64.99 -35.48 81.33 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.716 -0.674 . . . . 1.0 110.87 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.473 ' CD1' ' H ' ' A' ' 50' ' ' ILE . 3.0 mp -63.6 -43.52 98.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.046 0.45 . . . . 1.0 111.081 -178.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 56.1 m -111.36 -69.66 0.86 Allowed 'General case' 0 N--CA 1.471 0.6 0 O-C-N 122.045 -0.41 . . . . 1.0 110.47 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 141.9 6.55 0.79 Allowed Glycine 0 CA--C 1.528 0.862 0 N-CA-C 111.978 -0.449 . . . . 1.0 111.978 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.71 141.38 55.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 117.833 0.817 . . . . 1.0 111.771 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.519 ' NE2' HH21 ' A' ' 47' ' ' ARG . 88.9 mt-30 -99.07 145.33 27.23 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.232 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -132.99 147.52 52.28 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 122.084 0.945 . . . . 1.0 111.703 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -93.25 -14.64 26.79 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.699 -0.682 . . . . 1.0 109.915 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -141.25 146.14 41.47 Favored Pre-proline 0 N--CA 1.474 0.731 0 O-C-N 122.061 -0.4 . . . . 1.0 110.867 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -69.14 -28.99 27.56 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.057 1.838 . . . . 1.0 112.015 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.53 -42.42 92.26 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 110.051 -0.351 . . . . 1.0 110.051 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -63.25 -42.98 99.25 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.961 -0.385 . . . . 1.0 109.961 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 64' ' ' HIS . 1.6 tt -66.45 -45.22 80.51 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.083 -0.71 . . . . 1.0 109.083 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.417 ' O ' ' OG1' ' A' ' 65' ' ' THR . 16.9 ttmm -47.87 -41.1 23.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.623 0.725 . . . . 1.0 109.251 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 93.3 m -66.76 -32.42 73.7 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.723 -0.671 . . . . 1.0 109.735 178.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 61' ' ' LEU . 79.1 t60 -74.9 -38.68 61.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.727 0.775 . . . . 1.0 109.408 179.318 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 62' ' ' LYS . 61.0 p -60.22 -32.93 71.57 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.352 -0.61 . . . . 1.0 109.352 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.231 179.426 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt . . . . . 0 N--CA 1.469 0.518 0 N-CA-C 110.054 -0.35 . . . . 1.0 110.054 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -79.11 -15.17 13.07 Favored 'Trans proline' 0 C--N 1.304 -1.794 0 C-N-CA 122.24 1.96 . . . . 1.0 112.085 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.437 ' O ' ' O ' ' A' ' 27' ' ' PHE . 78.7 m-85 -109.75 113.06 25.5 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.246 0.546 . . . . 1.0 110.745 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -140.65 144.06 35.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.655 0.741 . . . . 1.0 109.783 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.2 t -72.78 111.99 8.42 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 121.296 0.57 . . . . 1.0 110.943 -178.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -64.52 -18.78 65.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.747 0.784 . . . . 1.0 110.079 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -66.55 -35.58 80.58 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 121.687 -0.633 . . . . 1.0 110.405 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.8 p -135.84 -168.97 2.31 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.43 0.633 . . . . 1.0 109.899 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -89.37 -3.07 58.6 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.788 -0.57 . . . . 1.0 111.628 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.96 156.52 3.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.816 0.817 . . . . 1.0 111.572 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.9 p -134.85 154.33 51.69 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 121.862 -0.523 . . . . 1.0 110.786 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.437 ' O ' ' O ' ' A' ' 18' ' ' TYR . 95.6 m-85 -150.43 147.96 28.18 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 121.419 0.628 . . . . 1.0 111.554 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -95.97 -1.14 49.67 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.893 -0.594 . . . . 1.0 111.192 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -134.85 135.3 41.58 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.02 0.438 . . . . 1.0 111.091 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -66.88 -34.31 77.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.512 -0.313 . . . . 1.0 110.925 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.36 -35.81 91.91 Favored Glycine 0 CA--C 1.52 0.352 0 N-CA-C 110.461 -1.056 . . . . 1.0 110.461 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -63.49 -40.6 97.51 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.039 -0.726 . . . . 1.0 109.039 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -41.72 99.18 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.662 -0.495 . . . . 1.0 109.662 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.93 -39.1 88.15 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 109.153 -0.684 . . . . 1.0 109.153 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.9 t -67.15 -45.59 76.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.238 0.542 . . . . 1.0 109.942 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 59.8 t60 -67.56 -41.12 84.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.96 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.7 ttpp . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.151 0.5 . . . . 1.0 111.241 -179.221 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 . . . . . 0 N--CA 1.471 0.614 0 CA-C-O 121.371 0.605 . . . . 1.0 110.801 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -138.56 144.59 39.93 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.974 -0.557 . . . . 1.0 109.795 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 19.7 t -81.17 113.95 19.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.605 0.717 . . . . 1.0 110.951 -179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -63.93 -37.24 86.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.728 -0.669 . . . . 1.0 110.654 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.48 ' CD1' ' H ' ' A' ' 50' ' ' ILE . 3.1 mp -63.76 -43.81 98.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.057 0.456 . . . . 1.0 110.846 -178.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 59.3 m -109.21 -71.93 0.74 Allowed 'General case' 0 N--CA 1.474 0.745 0 O-C-N 122.038 -0.414 . . . . 1.0 110.641 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.463 ' O ' ' NE2' ' A' ' 54' ' ' GLN . . . 140.08 8.2 0.9 Allowed Glycine 0 CA--C 1.529 0.944 0 N-CA-C 112.051 -0.42 . . . . 1.0 112.051 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.13 139.87 54.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 117.932 0.866 . . . . 1.0 111.52 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.463 ' NE2' ' O ' ' A' ' 52' ' ' GLY . 17.2 mp0 -93.98 145.53 24.58 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.233 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -131.97 148.87 52.54 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 122.157 0.98 . . . . 1.0 111.72 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -94.46 -14.63 25.0 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.632 0.73 . . . . 1.0 110.102 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 64.3 mtp85 -146.26 146.81 29.16 Favored Pre-proline 0 N--CA 1.472 0.663 0 O-C-N 121.993 -0.442 . . . . 1.0 110.643 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -68.31 -26.65 35.2 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 121.711 1.608 . . . . 1.0 111.994 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.73 -42.23 96.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.929 0.395 . . . . 1.0 110.115 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -64.37 -40.89 96.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.17 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 64' ' ' HIS . 1.6 tt -65.2 -45.88 82.96 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.917 -0.771 . . . . 1.0 108.917 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.402 ' O ' ' OG1' ' A' ' 65' ' ' THR . 38.1 ttmt -48.55 -40.39 26.9 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.225 -0.657 . . . . 1.0 109.225 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 16.4 m -65.57 -34.53 78.46 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.497 -0.557 . . . . 1.0 109.497 178.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 61' ' ' LEU . 86.4 t60 -75.09 -37.2 61.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.39 0.614 . . . . 1.0 109.685 179.184 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 62' ' ' LYS . 80.3 p -61.15 -32.77 72.48 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.278 -0.638 . . . . 1.0 109.278 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.622 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.001 -0.74 . . . . 1.0 109.001 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.456 ' HG1' ' N ' ' A' ' 13' ' ' HIS . 3.8 t -150.7 154.83 38.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.98 0.419 . . . . 1.0 110.137 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.456 ' N ' ' HG1' ' A' ' 12' ' ' THR . 78.0 m80 -75.55 128.43 35.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.543 0.687 . . . . 1.0 110.705 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.6 t -168.39 106.01 0.47 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.09 0.472 . . . . 1.0 111.231 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -148.05 20.7 1.11 Allowed 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.876 -0.515 . . . . 1.0 111.166 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.56 79.07 69.9 Favored Pre-proline 0 N--CA 1.474 0.769 0 C-N-CA 123.342 0.657 . . . . 1.0 109.819 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -61.78 -20.99 71.17 Favored 'Trans proline' 0 N--CA 1.498 1.761 0 C-N-CA 122.186 1.924 . . . . 1.0 112.025 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.455 ' O ' ' O ' ' A' ' 27' ' ' PHE . 61.6 m-85 -118.9 82.33 1.84 Allowed 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 121.568 0.699 . . . . 1.0 110.959 -179.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.08 152.18 44.7 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.545 0.688 . . . . 1.0 109.758 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.6 t -71.15 106.34 3.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.039 0.447 . . . . 1.0 111.18 -179.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -76.76 49.03 0.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.87 0.843 . . . . 1.0 109.998 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 83.6 mtt85 -142.22 -32.39 0.51 Allowed 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.687 -0.633 . . . . 1.0 110.366 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.7 p -139.72 -173.29 3.59 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.439 0.638 . . . . 1.0 109.908 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -67.21 -33.31 75.09 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.831 -0.543 . . . . 1.0 111.874 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -41.19 142.89 0.47 Allowed 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.43 0.633 . . . . 1.0 111.897 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.9 m -149.58 151.08 33.22 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.953 -0.467 . . . . 1.0 110.748 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.556 ' CD1' ' ND2' ' A' ' 32' ' ' ASN . 96.0 m-85 -148.49 157.62 43.58 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.332 0.587 . . . . 1.0 111.742 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -97.92 -5.83 33.54 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.906 -0.588 . . . . 1.0 111.154 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -118.92 146.52 44.88 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 121.395 0.617 . . . . 1.0 111.297 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.414 ' H ' ' HD3' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -74.81 -38.59 62.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.905 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.67 -38.53 95.78 Favored Glycine 0 C--N 1.329 0.165 0 N-CA-C 110.169 -1.173 . . . . 1.0 110.169 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.556 ' ND2' ' CD1' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -63.94 -38.42 91.03 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.456 -0.572 . . . . 1.0 109.456 179.524 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.93 -44.19 96.75 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.538 -0.541 . . . . 1.0 109.538 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.34 -39.41 93.0 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.438 -0.578 . . . . 1.0 109.438 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.7 t -62.34 -42.93 99.79 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.348 0.594 . . . . 1.0 109.481 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 72.5 t60 -66.93 -33.74 76.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.633 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -60.55 -27.87 68.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.919 0.39 . . . . 1.0 111.048 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.8 p -62.73 -24.84 67.89 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.587 -0.696 . . . . 1.0 110.832 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.8 t -63.21 -44.33 99.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 O-C-N 123.531 0.519 . . . . 1.0 112.281 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -65.61 -35.19 80.11 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.862 -0.524 . . . . 1.0 111.97 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 70.5 p 50.64 78.07 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.623 -0.673 . . . . 1.0 111.453 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 165.58 75.62 0.03 OUTLIER Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.79 -0.924 . . . . 1.0 110.79 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 57.2 tt0 -75.95 42.4 0.24 Allowed 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.192 0.52 . . . . 1.0 111.008 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.47 71.89 51.75 Favored Pre-proline 0 N--CA 1.473 0.717 0 O-C-N 122.012 -0.43 . . . . 1.0 110.53 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -52.0 -43.02 55.28 Favored 'Trans proline' 0 N--CA 1.499 1.822 0 C-N-CA 122.705 2.27 . . . . 1.0 113.189 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -139.03 136.38 35.25 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.192 0.52 . . . . 1.0 110.978 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 78.1 ttt-85 -137.98 130.26 29.07 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.191 0.52 . . . . 1.0 109.672 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.411 ' O ' ' N ' ' A' ' 52' ' ' GLY . 20.9 t -80.05 108.77 13.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.215 0.531 . . . . 1.0 110.962 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -64.05 -32.73 74.39 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 116.164 -0.471 . . . . 1.0 111.234 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 28.0 mt -63.04 -47.87 90.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.077 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 36.0 m -105.66 -58.8 1.85 Allowed 'General case' 0 N--CA 1.476 0.825 0 O-C-N 121.983 -0.448 . . . . 1.0 110.524 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 48' ' ' CYS . . . 127.59 10.64 3.56 Favored Glycine 0 N--CA 1.475 1.274 0 N-CA-C 112.141 -0.384 . . . . 1.0 112.141 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.07 138.83 42.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 117.827 0.814 . . . . 1.0 111.417 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -101.23 135.4 42.77 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.113 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -132.42 143.74 50.02 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 122.346 1.07 . . . . 1.0 111.592 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 53.6 p-10 -102.08 -2.01 30.39 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.453 -0.794 . . . . 1.0 110.08 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -135.28 136.11 23.85 Favored Pre-proline 0 N--CA 1.479 0.982 0 O-C-N 121.983 -0.448 . . . . 1.0 111.044 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.27 -23.92 27.94 Favored 'Trans proline' 0 C--N 1.304 -1.814 0 C-N-CA 121.689 1.593 . . . . 1.0 112.008 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.48 -51.4 69.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.035 0.445 . . . . 1.0 110.152 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -63.17 -38.76 92.46 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.944 -0.391 . . . . 1.0 109.944 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.02 -42.39 97.14 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.405 -0.591 . . . . 1.0 109.405 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -59.06 -46.55 87.97 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 108.969 -0.752 . . . . 1.0 108.969 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.1 p -66.32 -31.24 71.91 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.541 -0.54 . . . . 1.0 109.541 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -71.19 -39.8 71.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.743 0.782 . . . . 1.0 109.247 179.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 69' ' ' SER . 50.0 p -62.39 -18.13 60.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.488 0.661 . . . . 1.0 109.554 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 73.4 ttp85 -49.15 -45.64 44.09 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.597 -0.729 . . . . 1.0 110.383 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.1 pt -69.74 -40.71 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-O 121.228 0.537 . . . . 1.0 110.288 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -74.2 -15.81 60.99 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.958 -0.464 . . . . 1.0 110.323 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 65' ' ' THR . 12.6 t -57.13 90.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.226 0.536 . . . . 1.0 110.196 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -90.83 99.71 2.6 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.984 -0.846 . . . . 1.0 110.984 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -167.74 1.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.0 0.429 . . . . 1.0 110.528 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -165.98 72.8 1.26 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.032 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.7 -37.47 83.98 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.732 2.288 . . . . 1.0 112.7 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 64.6 t80 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.894 -1.05 . . . . 1.0 110.085 -179.323 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 80.0 mtp . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 109.269 -0.641 . . . . 1.0 109.269 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.5 m -62.71 129.25 39.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.833 0.349 . . . . 1.0 110.411 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 46.6 p-80 -74.5 -40.47 61.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.959 0.409 . . . . 1.0 111.053 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 97.3 p -72.69 110.16 6.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.639 0.733 . . . . 1.0 111.227 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -81.6 36.85 0.45 Allowed 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.865 -0.522 . . . . 1.0 110.767 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -130.2 69.86 82.05 Favored Pre-proline 0 N--CA 1.47 0.544 0 C-N-CA 123.45 0.7 . . . . 1.0 109.827 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.49 -12.6 20.57 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 121.962 1.775 . . . . 1.0 112.203 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.54 ' O ' ' O ' ' A' ' 27' ' ' PHE . 93.1 m-85 -103.91 101.67 11.46 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.11 0.481 . . . . 1.0 111.022 -179.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.8 pttt -141.26 151.35 43.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.359 0.6 . . . . 1.0 110.031 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.1 t -78.67 108.71 12.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.172 0.51 . . . . 1.0 111.463 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -63.65 -33.41 75.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.331 0.586 . . . . 1.0 109.93 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -67.47 -14.78 63.23 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.703 -0.623 . . . . 1.0 110.341 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 60.2 m -137.82 -168.26 2.3 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.379 0.609 . . . . 1.0 110.067 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -100.57 -26.75 13.72 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.822 -0.549 . . . . 1.0 111.481 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.18 157.11 0.09 Allowed 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.517 0.675 . . . . 1.0 111.678 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.8 t -137.26 147.23 45.59 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.944 -0.472 . . . . 1.0 110.774 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.54 ' O ' ' O ' ' A' ' 18' ' ' TYR . 97.7 m-85 -140.34 154.95 46.93 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 121.417 0.627 . . . . 1.0 111.776 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -96.4 -22.41 17.18 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.923 -0.58 . . . . 1.0 111.13 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.43 ' N ' ' CD1' ' A' ' 29' ' ' TYR . 39.1 m-85 -111.15 141.95 43.98 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 121.292 0.568 . . . . 1.0 111.073 -179.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -64.99 -38.3 90.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.961 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.44 -38.45 96.32 Favored Glycine 0 CA--C 1.52 0.394 0 N-CA-C 110.482 -1.047 . . . . 1.0 110.482 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -63.23 -38.93 93.11 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.507 -0.553 . . . . 1.0 109.507 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.28 -45.09 94.81 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.272 -0.64 . . . . 1.0 109.272 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.82 -36.7 82.97 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.235 -0.654 . . . . 1.0 109.235 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.409 ' O ' ' OG1' ' A' ' 38' ' ' THR . 37.8 t -62.9 -41.72 99.53 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.413 -0.588 . . . . 1.0 109.413 179.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -59.39 -39.89 84.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.542 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -59.36 -35.48 73.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.801 0.334 . . . . 1.0 111.124 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 35' ' ' SER . 34.5 p -50.92 -26.96 6.57 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.492 -0.755 . . . . 1.0 111.047 -179.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.8 t -67.69 -44.46 85.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 112.473 0.546 . . . . 1.0 112.473 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 35.3 p80 -125.37 38.95 4.07 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 122.999 0.52 . . . . 1.0 112.219 -178.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 81.5 p -37.13 -47.12 0.74 Allowed 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.635 -0.665 . . . . 1.0 111.968 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -178.67 65.73 0.08 OUTLIER Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.603 -0.999 . . . . 1.0 110.603 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -69.17 -36.56 77.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.691 0.281 . . . . 1.0 111.037 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.402 ' HZ2' ' NH2' ' A' ' 47' ' ' ARG . 66.3 mttm 56.22 71.92 1.1 Allowed Pre-proline 0 C--N 1.33 -0.279 0 O-C-N 121.929 -0.482 . . . . 1.0 110.323 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -50.18 -55.97 3.58 Favored 'Trans proline' 0 N--CA 1.499 1.835 0 C-N-CA 122.658 2.238 . . . . 1.0 113.243 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -145.11 141.45 28.81 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.272 0.558 . . . . 1.0 110.891 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.453 HH22 HE21 ' A' ' 54' ' ' GLN . 62.4 ttm-85 -139.5 135.23 33.28 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.148 -0.478 . . . . 1.0 109.857 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 52' ' ' GLY . 18.3 t -78.38 109.27 12.39 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.604 0.716 . . . . 1.0 111.078 -179.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -60.25 -38.18 82.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.773 -0.648 . . . . 1.0 110.861 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 17.9 mt -62.11 -45.38 98.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.149 0.5 . . . . 1.0 111.067 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 73.5 m -103.34 -66.44 0.94 Allowed 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.958 -0.464 . . . . 1.0 110.65 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 48' ' ' CYS . . . 121.31 31.67 1.14 Allowed Glycine 0 N--CA 1.474 1.167 0 N-CA-C 111.976 -0.45 . . . . 1.0 111.976 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.34 152.93 19.51 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 117.803 0.802 . . . . 1.0 111.308 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.453 HE21 HH22 ' A' ' 47' ' ' ARG . 88.5 mt-30 -94.23 140.77 29.35 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.173 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -133.26 149.03 51.98 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 122.138 0.97 . . . . 1.0 111.737 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -108.45 -6.1 16.31 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 115.632 -0.713 . . . . 1.0 110.306 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.512 HH21 HD22 ' A' ' 60' ' ' ASN . 51.7 mtm180 -145.13 143.29 19.98 Favored Pre-proline 0 N--CA 1.477 0.889 0 CA-C-O 119.19 -0.433 . . . . 1.0 110.861 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -70.15 -23.73 28.7 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 121.779 1.653 . . . . 1.0 111.932 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.92 -30.18 71.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.165 0.507 . . . . 1.0 110.191 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.512 HD22 HH21 ' A' ' 57' ' ' ARG . 10.3 m120 -66.69 -33.27 75.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.22 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.477 ' N ' ' CD2' ' A' ' 61' ' ' LEU . 3.3 mm? -63.41 -41.05 98.71 Favored 'General case' 0 CA--C 1.51 -0.593 0 N-CA-C 109.275 -0.639 . . . . 1.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -60.29 -42.98 96.6 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-O 121.896 0.855 . . . . 1.0 109.274 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 19.3 m -70.83 -43.72 67.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.375 -0.83 . . . . 1.0 110.104 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -64.14 -45.56 87.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.464 -0.789 . . . . 1.0 109.601 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.509 ' O ' ' N ' ' A' ' 69' ' ' SER . 2.0 p -52.06 -42.02 62.81 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 119.976 -0.69 . . . . 1.0 109.684 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 62.9 ttt-85 -40.62 -29.78 0.1 Allowed 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.159 0.504 . . . . 1.0 110.854 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 77.3 mt -66.83 -44.78 88.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.234 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.443 ' N ' ' O ' ' A' ' 65' ' ' THR . 6.1 p80 -124.77 30.22 6.0 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 121.961 -0.462 . . . . 1.0 110.612 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 65' ' ' THR . 10.8 t -59.88 -43.08 94.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.002 0.429 . . . . 1.0 110.507 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -165.28 -31.37 0.02 OUTLIER Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.721 -0.952 . . . . 1.0 110.721 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -65.06 135.89 56.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.239 0.542 . . . . 1.0 110.556 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.3 pttm -72.87 149.87 90.32 Favored Pre-proline 0 CA--C 1.543 0.682 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.624 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -65.92 149.45 86.36 Favored 'Trans proline' 0 N--CA 1.502 1.976 0 C-N-CA 121.95 1.766 . . . . 1.0 112.731 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.402 ' CD2' ' OXT' ' A' ' 74' ' ' TYR . 69.2 t80 . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 118.136 -0.935 . . . . 1.0 110.821 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 108.977 -0.749 . . . . 1.0 108.977 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.541 ' HG1' ' N ' ' A' ' 13' ' ' HIS . 8.0 t -77.49 160.93 28.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.445 -0.343 . . . . 1.0 110.097 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.541 ' N ' ' HG1' ' A' ' 12' ' ' THR . 86.0 t60 -68.71 146.25 53.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.603 0.716 . . . . 1.0 110.514 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 62.0 m -138.94 150.69 46.19 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.455 0.645 . . . . 1.0 110.941 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -74.48 -5.25 41.52 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.907 -0.495 . . . . 1.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -112.56 83.01 5.17 Favored Pre-proline 0 N--CA 1.474 0.746 0 C-N-CA 123.241 0.616 . . . . 1.0 109.82 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -75.69 -10.69 20.18 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 121.746 1.63 . . . . 1.0 111.988 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.487 ' O ' ' O ' ' A' ' 27' ' ' PHE . 86.7 m-85 -112.11 102.48 10.68 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 121.548 0.69 . . . . 1.0 111.168 -179.412 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -140.94 152.53 45.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.573 0.701 . . . . 1.0 109.729 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.6 t -78.78 108.23 12.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.113 0.483 . . . . 1.0 111.403 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -64.35 -34.01 77.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.456 0.646 . . . . 1.0 109.913 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 85.5 mtt85 -66.36 -19.24 65.75 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.685 -0.634 . . . . 1.0 110.328 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 78.2 m -131.5 -170.91 2.47 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.305 0.574 . . . . 1.0 110.14 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -99.42 -25.27 14.52 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.806 -0.559 . . . . 1.0 111.512 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.1 172.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.34 0.59 . . . . 1.0 111.655 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.8 p -151.48 156.25 40.2 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 121.972 -0.455 . . . . 1.0 110.649 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.487 ' O ' ' O ' ' A' ' 18' ' ' TYR . 97.7 m-85 -148.96 152.72 36.84 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.449 0.642 . . . . 1.0 111.677 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -93.95 -18.75 21.59 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.769 -0.65 . . . . 1.0 111.207 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' A' ' 29' ' ' TYR . 39.4 m-85 -114.97 141.06 48.49 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 121.227 0.537 . . . . 1.0 111.235 -179.195 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -64.83 -38.05 89.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.946 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.78 -37.12 94.22 Favored Glycine 0 CA--C 1.518 0.25 0 N-CA-C 110.318 -1.113 . . . . 1.0 110.318 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.41 ' O ' ' OG ' ' A' ' 35' ' ' SER . 90.6 m-20 -63.04 -38.95 93.23 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.191 -0.67 . . . . 1.0 109.191 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.15 -42.9 99.7 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.569 -0.53 . . . . 1.0 109.569 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.87 -38.98 90.24 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 109.296 -0.631 . . . . 1.0 109.296 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' A' ' 32' ' ' ASN . 25.8 p -60.44 -36.95 79.43 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.539 -0.541 . . . . 1.0 109.539 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -68.35 -36.06 78.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.688 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -62.34 -28.87 70.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.938 0.399 . . . . 1.0 111.036 -179.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 48.7 p -61.45 -29.85 70.21 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 121.558 -0.714 . . . . 1.0 110.744 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.5 t -61.42 -45.57 98.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 O-C-N 123.588 0.555 . . . . 1.0 112.285 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 35.0 p80 -126.73 33.44 4.96 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 121.897 -0.502 . . . . 1.0 112.074 -178.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 t -56.53 -39.15 72.89 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 121.616 -0.678 . . . . 1.0 111.144 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 168.37 -56.59 0.21 Allowed Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.689 -0.964 . . . . 1.0 110.689 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.466 ' CD ' ' H ' ' A' ' 43' ' ' GLU . 32.7 mp0 -61.57 129.67 42.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.338 0.589 . . . . 1.0 110.548 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.511 ' O ' ' N ' ' A' ' 46' ' ' TYR . 31.0 ttmt -167.23 62.48 0.64 Allowed Pre-proline 0 CA--C 1.541 0.614 0 O-C-N 121.927 -0.483 . . . . 1.0 110.796 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -38.42 84.87 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 123.046 2.497 . . . . 1.0 113.15 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.511 ' N ' ' O ' ' A' ' 44' ' ' LYS . 85.2 m-85 -53.35 157.22 2.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.416 0.627 . . . . 1.0 111.249 -179.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.629 HH12 HE21 ' A' ' 54' ' ' GLN . 60.6 ttm-85 -138.24 132.04 31.13 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.308 0.575 . . . . 1.0 109.88 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.5 t -79.33 108.75 13.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.551 0.691 . . . . 1.0 111.258 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -62.95 -38.49 91.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.833 -0.621 . . . . 1.0 110.843 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.1 mp -64.78 -45.0 96.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.001 0.429 . . . . 1.0 111.44 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 81.1 m -102.86 -72.13 0.7 Allowed 'General case' 0 N--CA 1.469 0.481 0 O-C-N 122.009 -0.432 . . . . 1.0 110.34 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 140.06 2.22 1.65 Allowed Glycine 0 N--CA 1.47 0.904 0 N-CA-C 112.122 -0.391 . . . . 1.0 112.122 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.4 147.5 47.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.721 0.772 . . . . 1.0 111.497 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.629 HE21 HH12 ' A' ' 47' ' ' ARG . 86.5 mt-30 -101.31 136.06 41.78 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.782 -0.645 . . . . 1.0 109.923 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -129.7 134.2 47.51 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-O 121.913 0.863 . . . . 1.0 111.6 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -98.7 6.55 46.89 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.468 0.651 . . . . 1.0 109.948 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -137.67 132.76 17.59 Favored Pre-proline 0 CA--C 1.544 0.737 0 O-C-N 122.011 -0.431 . . . . 1.0 111.072 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -70.44 -30.19 19.49 Favored 'Trans proline' 0 N--CA 1.499 1.815 0 C-N-CA 121.822 1.681 . . . . 1.0 112.102 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.25 -41.61 98.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.484 -0.325 . . . . 1.0 110.177 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -64.49 -40.25 95.31 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.745 -0.465 . . . . 1.0 109.745 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.53 -42.0 98.46 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.315 -0.624 . . . . 1.0 109.315 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.421 ' O ' ' OG1' ' A' ' 65' ' ' THR . 87.7 tttt -59.31 -47.77 84.14 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.006 -0.739 . . . . 1.0 109.006 179.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.0 m -64.03 -33.41 75.67 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 116.046 -0.525 . . . . 1.0 109.745 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -69.63 -40.72 76.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.779 0.8 . . . . 1.0 109.337 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 62' ' ' LYS . 51.9 p -61.67 -17.96 57.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.352 0.596 . . . . 1.0 109.752 179.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -52.6 -42.37 64.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.7 -0.682 . . . . 1.0 110.323 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.456 ' C ' ' H ' ' A' ' 69' ' ' SER . 2.7 pt -68.15 -40.19 82.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.166 0.508 . . . . 1.0 110.381 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 31.1 m-70 -73.24 9.08 1.37 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.271 0.557 . . . . 1.0 110.252 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.456 ' H ' ' C ' ' A' ' 67' ' ' ILE . 30.4 t -142.13 141.39 32.66 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.473 0.654 . . . . 1.0 110.318 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 49.97 76.05 0.18 Allowed Glycine 0 CA--C 1.528 0.873 0 N-CA-C 111.349 -0.701 . . . . 1.0 111.349 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.466 ' OE1' ' N ' ' A' ' 71' ' ' GLU . 55.8 mp0 -78.17 100.93 6.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.037 0.446 . . . . 1.0 110.593 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.9 mttm 53.61 73.15 0.97 Allowed Pre-proline 0 CA--C 1.534 0.34 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.302 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -58.29 145.34 93.76 Favored 'Trans proline' 0 N--CA 1.499 1.847 0 C-N-CA 122.778 2.319 . . . . 1.0 112.505 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.406 ' OXT' ' CD2' ' A' ' 74' ' ' TYR . 65.1 t80 . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.905 -1.045 . . . . 1.0 110.376 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 39.2 tpp . . . . . 0 N--CA 1.492 1.651 0 N-CA-C 109.281 -0.637 . . . . 1.0 109.281 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 54.1 p -66.24 -37.24 85.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.827 0.346 . . . . 1.0 110.904 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 61.6 t-80 -73.04 127.14 31.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.42 0.629 . . . . 1.0 110.743 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.9 p -163.57 130.61 3.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.42 0.629 . . . . 1.0 110.786 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -73.9 -5.31 40.33 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.91 -0.494 . . . . 1.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -128.99 73.69 81.6 Favored Pre-proline 0 N--CA 1.473 0.688 0 C-N-CA 123.55 0.74 . . . . 1.0 109.994 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -79.65 1.45 9.2 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.148 1.899 . . . . 1.0 112.119 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.413 ' O ' ' O ' ' A' ' 27' ' ' PHE . 78.9 m-85 -136.79 79.95 1.79 Allowed 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 121.323 0.582 . . . . 1.0 110.681 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.412 ' HD2' ' H ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -120.56 137.02 54.62 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 122.039 0.923 . . . . 1.0 109.686 -179.863 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 23.0 t -64.92 102.54 0.61 Allowed 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.969 -178.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -68.86 -21.1 64.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.565 0.698 . . . . 1.0 109.8 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -67.77 -38.21 83.12 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 121.775 -0.578 . . . . 1.0 110.488 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 75.6 m -115.84 -164.95 0.99 Allowed 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.475 0.655 . . . . 1.0 109.953 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -96.25 -23.66 16.59 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 121.78 -0.575 . . . . 1.0 111.375 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.88 175.0 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.705 0.764 . . . . 1.0 111.481 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.417 ' O ' ' CG ' ' A' ' 27' ' ' PHE . 24.3 t -155.45 156.65 35.66 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 121.868 -0.52 . . . . 1.0 110.791 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.417 ' CG ' ' O ' ' A' ' 26' ' ' SER . 99.7 m-85 -155.03 154.09 31.95 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.426 0.631 . . . . 1.0 111.702 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -96.01 -18.1 20.48 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.896 -0.593 . . . . 1.0 111.413 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -109.62 137.67 47.1 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.166 0.508 . . . . 1.0 111.037 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -68.28 -35.83 78.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.327 -0.397 . . . . 1.0 111.195 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.16 -36.96 93.9 Favored Glycine 0 CA--C 1.519 0.32 0 N-CA-C 110.364 -1.094 . . . . 1.0 110.364 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.414 ' ND2' ' CD1' ' A' ' 27' ' ' PHE . 42.5 t-20 -63.17 -36.55 84.01 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.33 -0.619 . . . . 1.0 109.33 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.59 -39.83 95.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.04 -0.527 . . . . 1.0 109.662 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.51 -38.38 89.69 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 109.187 -0.672 . . . . 1.0 109.187 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.8 t -63.59 -43.19 97.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.195 0.521 . . . . 1.0 109.614 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -74.7 -34.23 62.58 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.772 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -64.84 -31.71 73.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.041 0.448 . . . . 1.0 111.231 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.8 p -67.82 -21.91 65.18 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.605 -0.684 . . . . 1.0 110.772 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 51.6 t -62.99 -43.63 99.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 122.982 0.513 . . . . 1.0 112.022 -179.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -125.22 31.61 5.55 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 121.911 -0.493 . . . . 1.0 112.04 -178.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.0 t -69.28 142.6 54.08 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.638 -0.664 . . . . 1.0 111.073 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -168.63 99.68 0.15 Allowed Glycine 0 CA--C 1.527 0.832 0 N-CA-C 110.805 -0.918 . . . . 1.0 110.805 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.409 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 34.5 mp0 -68.92 -38.18 79.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.015 0.436 . . . . 1.0 111.254 -179.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.456 ' N ' ' CD ' ' A' ' 45' ' ' PRO . 20.5 pttp -169.97 51.06 0.17 Allowed Pre-proline 0 CA--C 1.534 0.357 0 O-C-N 121.875 -0.515 . . . . 1.0 110.669 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.456 ' CD ' ' N ' ' A' ' 44' ' ' LYS . 67.4 Cg_endo -65.5 -157.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 123.365 2.71 . . . . 1.0 111.913 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -144.32 147.68 33.8 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 115.895 -0.593 . . . . 1.0 111.105 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 49.1 ptt85 -134.84 147.02 49.81 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.284 0.564 . . . . 1.0 110.004 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.91 140.76 38.02 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 121.187 0.518 . . . . 1.0 111.118 -179.133 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -75.2 -9.71 58.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.953 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 75.4 mt -85.08 -66.06 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-O 120.907 0.384 . . . . 1.0 111.12 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.518 ' SG ' ' N ' ' A' ' 52' ' ' GLY . 28.9 p -94.74 -53.0 4.03 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 122.015 -0.428 . . . . 1.0 110.67 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.518 ' N ' ' SG ' ' A' ' 51' ' ' CYS . . . 120.75 20.73 3.41 Favored Glycine 0 N--CA 1.474 1.195 0 N-CA-C 111.992 -0.443 . . . . 1.0 111.992 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.62 -177.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 117.864 0.832 . . . . 1.0 111.439 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -146.01 138.51 25.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.012 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -149.62 137.74 20.5 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.843 0.83 . . . . 1.0 111.74 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -94.72 3.65 54.78 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.579 0.704 . . . . 1.0 110.051 179.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -143.07 142.37 21.66 Favored Pre-proline 0 N--CA 1.473 0.698 0 O-C-N 122.009 -0.432 . . . . 1.0 110.704 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.83 -31.99 14.84 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 121.706 1.604 . . . . 1.0 112.145 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.51 -47.36 84.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.349 . . . . 1.0 110.167 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 60.5 t-20 -64.06 -34.03 77.11 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.803 -0.443 . . . . 1.0 109.803 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 tt -61.94 -45.84 91.93 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.014 -0.736 . . . . 1.0 109.014 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.404 ' O ' ' OG1' ' A' ' 65' ' ' THR . 38.8 ttpt -61.5 -40.86 96.12 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.222 -0.659 . . . . 1.0 109.222 179.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 25.1 m -67.03 -26.08 66.6 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.878 -0.601 . . . . 1.0 109.719 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.401 ' C ' ' N ' ' A' ' 66' ' ' ARG . 28.2 t60 -82.97 -41.76 18.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.648 0.737 . . . . 1.0 109.281 179.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 62' ' ' LYS . 54.6 p -52.02 -18.17 1.3 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.382 0.61 . . . . 1.0 109.653 179.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.401 ' N ' ' C ' ' A' ' 64' ' ' HIS . 96.9 mtt180 -52.3 -41.59 63.04 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.645 -0.707 . . . . 1.0 110.189 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.7 pt -65.72 -39.71 85.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.128 0.49 . . . . 1.0 110.189 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -72.17 -24.22 61.4 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 121.989 -0.445 . . . . 1.0 110.165 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.7 t 55.66 64.44 1.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.187 0.517 . . . . 1.0 110.554 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.78 -36.55 93.46 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.0 -0.84 . . . . 1.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -58.57 111.53 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.174 0.511 . . . . 1.0 110.293 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.7 mmtp -69.56 148.01 96.82 Favored Pre-proline 0 CA--C 1.54 0.569 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.772 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -65.96 -21.39 56.96 Favored 'Trans proline' 0 N--CA 1.497 1.7 0 C-N-CA 122.192 1.928 . . . . 1.0 112.607 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 72.1 t80 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.911 -1.042 . . . . 1.0 110.204 -179.62 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 71.8 mmm . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.093 -0.706 . . . . 1.0 109.093 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.431 ' O ' ' CG ' ' A' ' 13' ' ' HIS . 60.2 p -74.9 138.84 42.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.538 -0.301 . . . . 1.0 110.194 179.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.431 ' CG ' ' O ' ' A' ' 12' ' ' THR . 72.6 m80 -153.55 -127.9 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.688 0.28 . . . . 1.0 110.657 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.462 ' C ' ' H ' ' A' ' 16' ' ' LYS . 13.7 t 57.21 153.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.601 0.715 . . . . 1.0 111.046 -179.509 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -76.32 35.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 O-C-N 121.883 -0.51 . . . . 1.0 110.876 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.462 ' H ' ' C ' ' A' ' 14' ' ' SER . 94.0 mttt -132.64 60.86 53.2 Favored Pre-proline 0 N--CA 1.468 0.453 0 C-N-CA 123.353 0.661 . . . . 1.0 109.89 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -73.72 -14.0 24.45 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.165 1.91 . . . . 1.0 112.196 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.514 ' O ' ' O ' ' A' ' 27' ' ' PHE . 79.3 m-85 -105.71 109.63 21.65 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.009 0.433 . . . . 1.0 110.925 -179.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -142.23 152.59 43.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.152 0.501 . . . . 1.0 110.089 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.1 t -75.46 110.41 9.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.309 0.576 . . . . 1.0 111.253 -179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 22' ' ' ARG . 47.2 p-10 -61.36 -32.65 72.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.56 0.695 . . . . 1.0 110.041 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.488 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 0.5 OUTLIER -67.79 -44.63 76.95 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.711 -0.618 . . . . 1.0 110.221 179.811 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 58.7 m -108.81 -141.63 0.38 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.982 0.42 . . . . 1.0 110.482 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -133.53 -21.83 1.97 Allowed 'General case' 0 N--CA 1.47 0.573 0 O-C-N 121.74 -0.6 . . . . 1.0 111.435 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.51 98.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.549 0.69 . . . . 1.0 111.787 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.3 m -73.39 141.35 46.99 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.887 -0.508 . . . . 1.0 110.957 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.558 ' CD1' ' ND2' ' A' ' 32' ' ' ASN . 70.3 m-85 -128.55 147.17 50.68 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-O 121.431 0.634 . . . . 1.0 111.92 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -96.26 -0.93 49.07 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.615 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -130.16 137.49 50.14 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.112 0.482 . . . . 1.0 111.099 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -67.74 -33.21 74.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.35 -0.386 . . . . 1.0 111.101 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -66.76 -36.51 91.31 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.134 -1.186 . . . . 1.0 110.134 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.558 ' ND2' ' CD1' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -64.51 -40.54 95.83 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.558 -0.534 . . . . 1.0 109.558 179.645 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.7 -44.5 93.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.461 0.648 . . . . 1.0 109.497 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.37 -39.28 93.56 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.37 -0.604 . . . . 1.0 109.37 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.7 t -61.45 -43.26 99.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.371 0.605 . . . . 1.0 109.483 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -65.88 -35.01 79.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.812 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -61.12 -32.11 71.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.024 0.44 . . . . 1.0 110.978 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 71.9 p -51.53 -31.85 25.67 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.551 -0.718 . . . . 1.0 110.995 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.9 t -62.06 -45.62 98.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.055 -0.521 . . . . 1.0 112.193 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -66.21 -34.45 78.05 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.85 -0.531 . . . . 1.0 112.069 -178.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.7 m -56.84 129.29 40.77 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 121.702 -0.624 . . . . 1.0 111.125 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 43' ' ' GLU . . . 167.18 -103.36 0.2 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.773 -0.931 . . . . 1.0 110.773 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 42' ' ' GLY . 97.8 mt-10 53.57 107.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.333 0.587 . . . . 1.0 110.843 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -159.14 71.73 3.49 Favored Pre-proline 0 N--CA 1.467 0.409 0 CA-C-O 121.195 0.522 . . . . 1.0 110.382 179.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -52.64 -45.32 41.05 Favored 'Trans proline' 0 N--CA 1.498 1.779 0 C-N-CA 122.696 2.264 . . . . 1.0 113.307 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -141.02 149.19 41.41 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.381 0.61 . . . . 1.0 111.027 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.612 HH22 ' NE2' ' A' ' 54' ' ' GLN . 60.9 ttm-85 -139.64 136.86 34.76 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.243 0.544 . . . . 1.0 109.677 179.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.2 t -76.4 114.03 14.65 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.783 0.801 . . . . 1.0 110.884 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -63.63 -35.6 81.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.552 -0.749 . . . . 1.0 110.956 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 26.7 mt -62.48 -43.81 98.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.911 0.386 . . . . 1.0 111.032 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 23.8 m -113.83 -70.53 0.8 Allowed 'General case' 0 N--CA 1.474 0.731 0 O-C-N 122.06 -0.4 . . . . 1.0 110.681 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 140.62 12.27 0.59 Allowed Glycine 0 CA--C 1.531 1.076 0 N-CA-C 112.034 -0.426 . . . . 1.0 112.034 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.09 139.78 54.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 117.882 0.841 . . . . 1.0 111.581 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.612 ' NE2' HH22 ' A' ' 47' ' ' ARG . 77.9 mt-30 -92.94 142.95 26.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.126 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -132.28 138.29 47.8 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 121.984 0.897 . . . . 1.0 111.818 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -90.23 -13.49 35.32 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.587 0.708 . . . . 1.0 110.29 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 62.9 mtt85 -143.69 146.06 33.57 Favored Pre-proline 0 N--CA 1.475 0.793 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.657 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -68.55 -27.94 32.35 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 121.654 1.569 . . . . 1.0 111.917 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.25 -40.2 93.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 1.0 110.141 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -63.98 -38.21 90.23 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.902 -0.407 . . . . 1.0 109.902 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.21 -42.98 99.79 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.048 -0.723 . . . . 1.0 109.048 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.6 ttmm -54.11 -39.55 66.5 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.091 -0.707 . . . . 1.0 109.091 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.6 m -66.24 -35.28 80.0 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.832 -0.622 . . . . 1.0 109.646 179.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -73.63 -42.87 60.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.582 0.706 . . . . 1.0 109.732 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.3 p -55.77 -33.89 64.76 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.499 -0.556 . . . . 1.0 109.499 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 60.7 ttt85 -58.03 -34.09 69.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.172 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 66.7 mt -63.2 -41.96 94.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.939 0.399 . . . . 1.0 110.146 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -66.84 -37.56 84.71 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 122.0 -0.438 . . . . 1.0 110.282 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.0 t -63.78 151.24 42.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.075 0.464 . . . . 1.0 110.327 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.22 -35.45 92.09 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 111.046 -0.821 . . . . 1.0 111.046 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 59.32 159.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.417 0.627 . . . . 1.0 110.208 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.4 tttm -126.15 72.52 71.19 Favored Pre-proline 0 N--CA 1.472 0.634 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.288 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -74.58 154.86 44.92 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.016 1.811 . . . . 1.0 112.728 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 65.0 t80 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.932 -1.032 . . . . 1.0 110.769 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 16.5 ptt? . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 109.389 -0.597 . . . . 1.0 109.389 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 73.7 p -69.95 139.76 52.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.025 0.441 . . . . 1.0 110.096 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -66.37 -36.58 83.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.33 0.586 . . . . 1.0 110.948 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.408 ' HG ' ' N ' ' A' ' 15' ' ' ASP . 40.9 t -143.84 150.8 39.03 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 121.483 0.658 . . . . 1.0 110.962 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.408 ' N ' ' HG ' ' A' ' 14' ' ' SER . 53.7 t0 -60.65 -8.65 3.05 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.875 -0.516 . . . . 1.0 111.039 -179.572 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -113.55 81.61 5.58 Favored Pre-proline 0 N--CA 1.473 0.724 0 C-N-CA 123.169 0.588 . . . . 1.0 109.64 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -75.09 -14.12 21.04 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 121.809 1.673 . . . . 1.0 111.937 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.505 ' O ' ' O ' ' A' ' 27' ' ' PHE . 81.2 m-85 -114.09 103.28 10.97 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 121.574 0.702 . . . . 1.0 111.234 -179.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -141.02 152.08 44.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.516 0.674 . . . . 1.0 109.849 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.4 t -80.83 106.58 12.94 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.987 -0.446 . . . . 1.0 111.3 -179.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -63.31 -27.57 69.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.532 0.682 . . . . 1.0 109.967 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -69.08 -17.96 63.93 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 121.739 -0.601 . . . . 1.0 110.586 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 34.3 m -136.86 -172.99 3.31 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.334 0.587 . . . . 1.0 110.07 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -96.7 -15.99 21.14 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.815 -0.553 . . . . 1.0 111.758 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.13 150.65 20.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.707 0.765 . . . . 1.0 111.536 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.8 m -131.97 152.35 51.17 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.832 -0.543 . . . . 1.0 110.882 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.505 ' O ' ' O ' ' A' ' 18' ' ' TYR . 97.4 m-85 -143.83 150.71 38.91 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 121.363 0.601 . . . . 1.0 111.716 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.451 ' NH2' ' CE2' ' A' ' 29' ' ' TYR . 63.2 ttp85 -91.2 -17.44 26.04 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.929 -0.578 . . . . 1.0 111.042 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.451 ' CE2' ' NH2' ' A' ' 28' ' ' ARG . 17.5 m-85 -112.8 146.85 38.1 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-O 121.386 0.612 . . . . 1.0 111.242 -179.077 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -72.11 -35.12 69.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.293 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.71 -35.86 86.43 Favored Glycine 0 CA--C 1.518 0.278 0 N-CA-C 110.361 -1.095 . . . . 1.0 110.361 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -62.83 -38.98 92.91 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.17 -0.678 . . . . 1.0 109.17 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.88 -44.4 97.13 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.496 -0.557 . . . . 1.0 109.496 -179.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.05 -37.04 80.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.31 0.576 . . . . 1.0 109.53 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.4 t -60.73 -41.08 94.59 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.43 -0.581 . . . . 1.0 109.43 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 39.0 t60 -66.71 -41.54 87.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.574 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -55.33 -21.58 15.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.053 0.454 . . . . 1.0 111.151 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 71.7 p -57.31 -32.41 66.65 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.586 -0.696 . . . . 1.0 110.769 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.447 ' CG1' ' N ' ' A' ' 40' ' ' HIS . 4.5 p -60.6 -44.84 97.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 112.426 0.528 . . . . 1.0 112.426 -178.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.447 ' N ' ' CG1' ' A' ' 39' ' ' VAL . 13.5 p80 -127.69 31.68 5.11 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 121.896 -0.502 . . . . 1.0 112.059 -178.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.6 t -59.44 -43.42 93.12 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 121.721 -0.612 . . . . 1.0 111.287 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 157.32 67.41 0.01 OUTLIER Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.57 -1.012 . . . . 1.0 110.57 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.467 ' OE1' ' N ' ' A' ' 43' ' ' GLU . 57.4 mp0 -79.38 -12.91 59.9 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.161 0.505 . . . . 1.0 111.345 -179.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -166.83 131.26 1.62 Allowed Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 120.408 -0.517 . . . . 1.0 110.779 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -75.86 -97.52 0.01 OUTLIER 'Trans proline' 0 N--CA 1.504 2.122 0 C-N-CA 121.8 1.667 . . . . 1.0 113.141 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -138.7 152.45 48.02 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 121.424 0.631 . . . . 1.0 110.709 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -138.93 138.92 37.79 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.004 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.4 t -75.7 118.37 18.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.553 0.692 . . . . 1.0 110.988 -179.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -70.03 -26.57 64.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.827 -0.624 . . . . 1.0 111.015 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.453 ' N ' ' CD1' ' A' ' 50' ' ' ILE . 1.9 mp -62.76 -43.91 99.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.104 -178.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 52' ' ' GLY . 11.9 p -123.17 -61.86 1.38 Allowed 'General case' 0 N--CA 1.473 0.703 0 O-C-N 122.086 -0.383 . . . . 1.0 110.5 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.45 ' N ' ' SG ' ' A' ' 51' ' ' CYS . . . 144.38 6.54 0.53 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.99 -0.444 . . . . 1.0 111.99 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.83 137.99 58.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 117.76 0.78 . . . . 1.0 111.572 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -100.01 141.81 32.33 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.794 -0.639 . . . . 1.0 110.267 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -132.21 146.33 51.94 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 121.858 0.837 . . . . 1.0 111.78 -179.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -92.77 -9.68 39.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.366 0.603 . . . . 1.0 109.886 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 -144.33 144.66 26.39 Favored Pre-proline 0 CA--C 1.542 0.666 0 O-C-N 122.083 -0.385 . . . . 1.0 110.885 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.91 -28.85 35.41 Favored 'Trans proline' 0 N--CA 1.5 1.871 0 C-N-CA 121.846 1.697 . . . . 1.0 111.972 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.96 -45.47 86.65 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.022 -0.362 . . . . 1.0 110.022 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -63.85 -35.54 80.96 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.916 -0.402 . . . . 1.0 109.916 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.65 -45.21 93.87 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.256 -0.646 . . . . 1.0 109.256 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.404 ' O ' ' OG1' ' A' ' 65' ' ' THR . 55.8 mtmt -61.6 -41.35 97.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.566 0.698 . . . . 1.0 109.418 179.397 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 97.9 m -68.09 -27.15 66.23 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.684 -0.689 . . . . 1.0 109.79 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -81.5 -38.53 26.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.628 0.728 . . . . 1.0 109.431 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 62' ' ' LYS . 77.4 p -58.1 -30.43 66.26 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.429 -0.582 . . . . 1.0 109.429 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -58.61 -36.42 74.01 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.261 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.631 ' C ' ' H ' ' A' ' 69' ' ' SER . 63.0 mt -61.87 -42.17 93.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.804 -0.443 . . . . 1.0 109.804 -179.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 -66.75 24.85 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 121.088 0.47 . . . . 1.0 110.608 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.631 ' H ' ' C ' ' A' ' 67' ' ' ILE . 11.1 t -59.58 -44.91 93.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.361 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 77.97 -101.93 1.74 Allowed Glycine 0 CA--C 1.523 0.531 0 N-CA-C 111.261 -0.735 . . . . 1.0 111.261 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -61.68 125.83 25.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.201 0.524 . . . . 1.0 110.518 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.404 ' N ' ' CD ' ' A' ' 73' ' ' PRO . 78.0 tttt -169.96 54.54 0.23 Allowed Pre-proline 0 CA--C 1.533 0.313 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.036 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.404 ' CD ' ' N ' ' A' ' 72' ' ' LYS . 38.0 Cg_endo -65.18 -17.56 58.96 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.573 2.182 . . . . 1.0 112.22 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.069 -0.967 . . . . 1.0 110.561 -179.997 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 N--CA 1.488 1.46 0 N-CA-C 109.008 -0.738 . . . . 1.0 109.008 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.0 p -79.04 164.91 23.96 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 110.213 -0.291 . . . . 1.0 110.213 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 86.8 t60 48.25 85.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.454 0.645 . . . . 1.0 110.945 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 94.2 p -165.09 14.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 O-C-N 122.015 -0.428 . . . . 1.0 111.596 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 44.2 p-10 -83.48 12.48 5.55 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 121.879 -0.513 . . . . 1.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -130.91 62.96 68.47 Favored Pre-proline 0 N--CA 1.471 0.599 0 C-N-CA 123.436 0.695 . . . . 1.0 109.855 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -73.73 -17.94 22.58 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.05 1.833 . . . . 1.0 112.31 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.539 ' O ' ' O ' ' A' ' 27' ' ' PHE . 95.7 m-85 -96.09 107.4 19.71 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 121.297 0.57 . . . . 1.0 110.759 -179.235 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -140.48 152.04 45.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.448 0.642 . . . . 1.0 109.691 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.6 t -81.01 99.89 8.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.199 0.523 . . . . 1.0 111.126 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -57.74 -31.97 66.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.666 0.746 . . . . 1.0 109.894 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -69.26 -19.88 63.93 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.707 -0.62 . . . . 1.0 110.424 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 84.0 m -133.49 -163.46 1.36 Allowed 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.462 0.649 . . . . 1.0 110.038 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.498 ' H ' ' CD ' ' A' ' 24' ' ' GLN . 3.0 pm0 -110.03 -3.17 16.63 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 121.715 -0.615 . . . . 1.0 111.489 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.24 145.02 54.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.665 0.745 . . . . 1.0 111.427 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.5 p -118.47 141.94 48.07 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.898 -0.501 . . . . 1.0 110.915 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.539 ' O ' ' O ' ' A' ' 18' ' ' TYR . 95.9 m-85 -132.47 150.06 52.22 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 121.555 0.693 . . . . 1.0 111.995 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -95.8 -20.1 19.11 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.651 -0.704 . . . . 1.0 111.213 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.42 ' N ' ' CD1' ' A' ' 29' ' ' TYR . 44.8 m-85 -114.83 145.27 42.33 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 121.39 0.614 . . . . 1.0 111.066 -179.029 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -66.85 -38.24 86.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.502 . . . . 1.0 111.05 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.27 -37.03 94.23 Favored Glycine 0 CA--C 1.518 0.268 0 N-CA-C 110.267 -1.133 . . . . 1.0 110.267 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -62.8 -39.47 94.36 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.379 -0.6 . . . . 1.0 109.379 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.01 -43.99 93.97 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 121.45 0.643 . . . . 1.0 109.576 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.44 -36.28 78.81 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.44 -0.578 . . . . 1.0 109.44 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.3 t -58.66 -42.07 87.56 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.313 -0.625 . . . . 1.0 109.313 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -66.62 -35.69 80.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.409 -0.36 . . . . 1.0 110.76 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -50.96 -27.13 6.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.146 0.498 . . . . 1.0 111.239 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.9 t -47.78 -36.58 11.89 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.588 -0.695 . . . . 1.0 111.148 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.8 t -61.57 -43.44 96.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 123.254 0.622 . . . . 1.0 112.21 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -75.18 18.37 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.893 -0.504 . . . . 1.0 112.13 -178.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.6 t -61.71 -38.28 87.27 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.615 -0.678 . . . . 1.0 111.194 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.28 177.1 36.77 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.204 -0.759 . . . . 1.0 111.204 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -162.44 4.23 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.909 0.385 . . . . 1.0 110.955 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 54.6 mttm 60.21 62.34 3.38 Favored Pre-proline 0 CA--C 1.532 0.28 0 O-C-N 121.97 -0.456 . . . . 1.0 110.456 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -75.44 -97.56 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.731 0 C-N-CA 122.567 2.178 . . . . 1.0 113.183 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -110.46 140.25 44.9 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 121.489 0.662 . . . . 1.0 111.114 -179.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -137.85 124.81 21.32 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.452 0.644 . . . . 1.0 109.906 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.88 110.36 8.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.508 0.67 . . . . 1.0 111.066 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 41.7 p-10 -72.6 -25.03 61.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.976 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.1 mp -62.62 -47.98 90.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 1.0 111.513 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.504 ' SG ' ' N ' ' A' ' 52' ' ' GLY . 26.3 p -115.58 -57.07 2.28 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 122.074 -0.392 . . . . 1.0 110.606 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.504 ' N ' ' SG ' ' A' ' 51' ' ' CYS . . . 143.78 -3.38 1.54 Allowed Glycine 0 N--CA 1.47 0.946 0 N-CA-C 112.126 -0.39 . . . . 1.0 112.126 179.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.22 173.45 0.07 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.719 0.771 . . . . 1.0 111.667 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -137.59 145.38 42.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.735 -0.666 . . . . 1.0 110.148 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -150.86 152.53 33.84 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.912 0.863 . . . . 1.0 111.719 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -98.28 2.07 47.81 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.519 0.676 . . . . 1.0 109.983 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -140.82 139.91 20.75 Favored Pre-proline 0 N--CA 1.478 0.935 0 O-C-N 121.988 -0.445 . . . . 1.0 110.931 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.69 -33.39 8.3 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 121.466 1.444 . . . . 1.0 112.138 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.89 -45.45 92.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.965 0.412 . . . . 1.0 110.073 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.1 t-20 -63.44 -27.3 69.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.14 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 tt -61.4 -48.96 78.81 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.076 -0.712 . . . . 1.0 109.076 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -63.62 -43.5 96.65 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.195 -0.668 . . . . 1.0 109.195 179.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 10.7 m -63.37 -34.46 77.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.925 -0.58 . . . . 1.0 109.62 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.439 ' C ' ' N ' ' A' ' 66' ' ' ARG . 1.5 t60 -72.43 -50.02 29.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.767 0.794 . . . . 1.0 109.14 179.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 69' ' ' SER . 81.9 p -48.57 -18.14 0.22 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.952 0.882 . . . . 1.0 109.941 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.439 ' N ' ' C ' ' A' ' 64' ' ' HIS . 59.4 ttp180 -55.29 -33.78 63.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.109 -0.95 . . . . 1.0 110.414 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.442 ' CG2' ' N ' ' A' ' 68' ' ' HIS . 19.2 tt -64.07 -49.26 82.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.19 0.519 . . . . 1.0 110.626 -179.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.465 ' O ' ' ND1' ' A' ' 68' ' ' HIS . 20.5 p80 -111.93 32.28 5.59 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.946 -0.471 . . . . 1.0 110.433 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.477 ' N ' ' O ' ' A' ' 65' ' ' THR . 6.9 p -45.42 -43.23 11.11 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.461 0.648 . . . . 1.0 110.789 -179.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 148.58 -14.33 1.22 Allowed Glycine 0 N--CA 1.464 0.551 0 N-CA-C 110.713 -0.955 . . . . 1.0 110.713 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -160.01 150.29 18.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.067 0.461 . . . . 1.0 110.798 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.459 ' N ' ' CD ' ' A' ' 73' ' ' PRO . 52.3 pttt -169.42 50.99 0.18 Allowed Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.087 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.459 ' CD ' ' N ' ' A' ' 72' ' ' LYS . 38.2 Cg_endo -63.76 148.64 91.94 Favored 'Trans proline' 0 N--CA 1.5 1.875 0 C-N-CA 122.619 2.213 . . . . 1.0 112.6 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 61.9 t80 . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.965 -1.017 . . . . 1.0 110.815 179.658 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.49 ' O ' ' N ' ' A' ' 13' ' ' HIS . 67.5 mtt . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 108.836 -0.802 . . . . 1.0 108.836 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.0 m 59.57 -76.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.739 0.304 . . . . 1.0 110.793 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.49 ' N ' ' O ' ' A' ' 11' ' ' MET . 22.9 p80 -74.5 -13.64 60.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.975 0.417 . . . . 1.0 110.694 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.1 t -62.22 -44.01 97.55 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 122.031 -0.418 . . . . 1.0 111.778 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 40.6 p30 -76.4 -5.25 46.46 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.927 -0.483 . . . . 1.0 110.83 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -132.56 68.88 79.72 Favored Pre-proline 0 N--CA 1.471 0.61 0 C-N-CA 123.457 0.703 . . . . 1.0 109.536 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -77.37 -11.25 17.44 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.239 1.959 . . . . 1.0 112.063 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.511 ' O ' ' O ' ' A' ' 27' ' ' PHE . 68.2 m-85 -116.56 104.71 11.68 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.418 0.628 . . . . 1.0 110.956 -179.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -141.76 153.48 44.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.438 0.637 . . . . 1.0 109.826 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.6 t -76.58 111.2 11.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.972 0.415 . . . . 1.0 111.315 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' A' ' 22' ' ' ARG . 48.0 p-10 -66.11 -31.99 73.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.464 0.649 . . . . 1.0 109.955 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.451 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 75.2 ttt180 -68.0 -41.88 81.61 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.68 -0.638 . . . . 1.0 110.428 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 72.0 m -107.18 -171.56 1.91 Allowed 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.365 0.603 . . . . 1.0 110.128 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -99.66 -20.21 16.42 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.749 -0.595 . . . . 1.0 111.442 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.46 160.22 0.88 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.608 0.718 . . . . 1.0 111.494 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.5 t -139.64 145.78 38.9 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.919 -0.488 . . . . 1.0 110.719 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.511 ' O ' ' O ' ' A' ' 18' ' ' TYR . 98.9 m-85 -132.47 153.43 50.89 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 121.41 0.624 . . . . 1.0 111.828 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 91.2 mtm180 -96.27 -3.66 43.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.826 -0.624 . . . . 1.0 110.989 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -131.92 146.59 52.2 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 121.417 0.627 . . . . 1.0 111.036 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -70.41 -35.36 73.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.96 -0.563 . . . . 1.0 111.363 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.44 -37.83 94.21 Favored Glycine 0 CA--C 1.517 0.198 0 N-CA-C 110.192 -1.163 . . . . 1.0 110.192 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -63.43 -39.19 93.82 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.338 -0.616 . . . . 1.0 109.338 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.84 -43.51 98.71 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.469 -0.567 . . . . 1.0 109.469 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.75 -37.18 81.79 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 109.395 -0.594 . . . . 1.0 109.395 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.1 t -61.55 -39.24 90.37 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.195 0.521 . . . . 1.0 109.641 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -66.36 -35.45 80.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.862 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.1 pttp -42.58 -26.16 0.11 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.573 0.701 . . . . 1.0 111.56 -179.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.0 t -56.61 -36.2 69.15 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.548 -0.72 . . . . 1.0 110.788 -178.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 49.5 t -59.55 -24.21 27.93 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 C-N-CA 123.229 0.612 . . . . 1.0 111.956 -179.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 41.2 m170 -71.16 -14.82 62.4 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 121.902 -0.499 . . . . 1.0 112.115 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.9 m 57.22 114.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.653 -0.654 . . . . 1.0 111.338 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 168.24 -23.49 0.11 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.608 -0.997 . . . . 1.0 110.608 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 55.59 24.01 6.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.729 0.299 . . . . 1.0 111.049 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -64.32 155.27 80.72 Favored Pre-proline 0 CA--C 1.541 0.598 0 O-C-N 122.025 -0.422 . . . . 1.0 110.42 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -68.66 -92.84 0.0 OUTLIER 'Trans proline' 0 N--CA 1.502 2.024 0 C-N-CA 122.552 2.168 . . . . 1.0 112.894 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -133.49 146.45 51.11 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 121.589 0.709 . . . . 1.0 111.081 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -139.32 140.38 37.54 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.882 -0.599 . . . . 1.0 109.868 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.0 t -79.17 114.64 18.27 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.511 0.672 . . . . 1.0 110.923 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 -65.73 -33.39 75.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.821 -0.627 . . . . 1.0 111.174 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 30.9 mt -63.45 -43.19 98.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-O 121.03 0.443 . . . . 1.0 111.066 -179.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 16.3 m -115.76 -70.54 0.79 Allowed 'General case' 0 N--CA 1.475 0.815 0 O-C-N 122.019 -0.425 . . . . 1.0 110.472 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.467 ' O ' ' NE2' ' A' ' 54' ' ' GLN . . . 143.05 12.84 0.36 Allowed Glycine 0 CA--C 1.531 1.064 0 N-CA-C 112.041 -0.424 . . . . 1.0 112.041 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.2 137.89 51.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 117.827 0.813 . . . . 1.0 111.642 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.467 ' NE2' ' O ' ' A' ' 52' ' ' GLY . 21.3 mp0 -92.99 144.34 25.35 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.958 -0.564 . . . . 1.0 110.101 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -134.76 140.37 45.86 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 121.77 0.795 . . . . 1.0 111.905 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -92.07 3.21 55.76 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.556 0.693 . . . . 1.0 109.909 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.578 HH11 HD22 ' A' ' 60' ' ' ASN . 7.3 ptp85 -166.8 147.76 5.26 Favored Pre-proline 0 CA--C 1.543 0.694 0 O-C-N 122.006 -0.434 . . . . 1.0 110.508 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.82 -27.26 44.11 Favored 'Trans proline' 0 N--CA 1.497 1.729 0 C-N-CA 122.186 1.924 . . . . 1.0 111.925 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.22 -46.73 79.38 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 110.111 -0.329 . . . . 1.0 110.111 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.578 HD22 HH11 ' A' ' 57' ' ' ARG . 98.2 m-20 -65.54 -38.78 90.59 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.938 -0.393 . . . . 1.0 109.938 179.357 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 64' ' ' HIS . 1.3 tt -63.56 -49.36 73.74 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.034 -0.728 . . . . 1.0 109.034 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.431 ' O ' ' OG1' ' A' ' 65' ' ' THR . 19.8 mmmt -45.45 -43.1 11.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.683 0.754 . . . . 1.0 109.676 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.2 m -63.51 -37.51 87.6 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.646 -0.706 . . . . 1.0 109.518 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.457 ' N ' ' O ' ' A' ' 61' ' ' LEU . 79.7 t60 -71.39 -39.55 71.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.799 0.809 . . . . 1.0 109.542 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 62' ' ' LYS . 72.1 p -60.91 -33.15 72.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.901 -0.591 . . . . 1.0 109.42 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -59.43 -34.73 72.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.173 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 67.1 mt -63.81 -40.84 90.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.928 0.394 . . . . 1.0 110.349 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -65.71 -38.62 89.72 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 122.05 -0.406 . . . . 1.0 110.262 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.9 t -152.64 147.15 25.8 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.304 0.573 . . . . 1.0 110.257 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 165.99 -27.23 0.18 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.886 -0.886 . . . . 1.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.11 -41.13 99.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.892 0.377 . . . . 1.0 110.574 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -162.51 73.77 2.16 Favored Pre-proline 0 CA--C 1.534 0.363 0 N-CA-C 110.011 -0.366 . . . . 1.0 110.011 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -57.5 143.33 94.7 Favored 'Trans proline' 0 N--CA 1.5 1.893 0 C-N-CA 122.771 2.314 . . . . 1.0 112.676 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.07 -0.966 . . . . 1.0 110.703 179.752 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 19.0 ptm . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.343 -0.614 . . . . 1.0 109.343 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.2 p -64.97 -32.78 74.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.55 -0.295 . . . . 1.0 110.979 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.9 p-80 -71.56 159.79 33.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.045 0.45 . . . . 1.0 110.702 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 67.2 p -154.21 37.93 0.44 Allowed 'General case' 0 N--CA 1.466 0.341 0 O-C-N 122.089 -0.382 . . . . 1.0 111.627 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -65.52 -43.75 89.07 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 121.865 -0.522 . . . . 1.0 110.806 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.28 76.89 75.27 Favored Pre-proline 0 N--CA 1.472 0.646 0 C-N-CA 123.649 0.78 . . . . 1.0 109.504 179.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -77.42 -17.27 14.72 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.116 1.877 . . . . 1.0 112.017 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.461 ' O ' ' O ' ' A' ' 27' ' ' PHE . 91.8 m-85 -105.79 111.32 23.94 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 121.606 0.717 . . . . 1.0 111.004 -179.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -142.09 141.0 32.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.642 0.734 . . . . 1.0 109.789 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.4 t -67.97 112.67 5.11 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.067 0.461 . . . . 1.0 110.97 -178.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' A' ' 22' ' ' ARG . 33.6 p30 -66.19 -32.97 74.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.574 0.702 . . . . 1.0 110.008 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.505 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 8.1 tpm_? -67.66 -21.77 65.34 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.652 -0.655 . . . . 1.0 110.654 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 74.3 m -126.63 -174.67 3.19 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.493 0.663 . . . . 1.0 109.942 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -104.9 1.07 28.54 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.788 -0.57 . . . . 1.0 111.434 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.07 -178.09 0.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.455 0.645 . . . . 1.0 111.46 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.414 ' C ' ' CD1' ' A' ' 27' ' ' PHE . 35.7 p -149.39 156.12 41.55 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.911 -0.493 . . . . 1.0 110.73 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.461 ' O ' ' O ' ' A' ' 18' ' ' TYR . 96.5 m-85 -151.48 152.55 33.16 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.35 0.595 . . . . 1.0 111.544 -179.381 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -95.8 -19.21 19.79 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.925 -0.579 . . . . 1.0 111.213 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -118.02 138.91 51.89 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 121.246 0.546 . . . . 1.0 111.273 -179.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -67.22 -34.98 78.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.937 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.7 -34.86 90.08 Favored Glycine 0 CA--C 1.518 0.229 0 N-CA-C 110.317 -1.113 . . . . 1.0 110.317 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -63.33 -38.24 90.4 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 108.869 -0.789 . . . . 1.0 108.869 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.66 -42.36 99.58 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.775 -0.454 . . . . 1.0 109.775 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.84 90.18 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 109.235 -0.654 . . . . 1.0 109.235 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 55.7 m -62.74 -43.6 98.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.281 0.563 . . . . 1.0 109.762 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -72.83 -34.91 67.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.692 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -65.37 -39.54 92.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.072 0.463 . . . . 1.0 111.201 -179.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.0 p -54.76 -19.21 5.85 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.628 -0.67 . . . . 1.0 110.765 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.94 -44.08 97.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 122.972 0.509 . . . . 1.0 112.102 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 20.4 p80 -124.93 23.49 7.83 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 121.875 -0.515 . . . . 1.0 111.892 -178.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 69.8 m -66.71 134.94 53.24 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 121.607 -0.683 . . . . 1.0 111.204 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -164.68 162.69 35.72 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.919 -0.872 . . . . 1.0 110.919 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -75.75 52.62 0.68 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.175 0.512 . . . . 1.0 111.168 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.84 66.81 27.44 Favored Pre-proline 0 N--CA 1.475 0.79 0 O-C-N 121.919 -0.488 . . . . 1.0 110.593 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -42.56 -64.84 0.22 Allowed 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.866 2.378 . . . . 1.0 113.105 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -139.15 144.4 38.6 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 121.418 0.628 . . . . 1.0 110.95 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.519 HH21 ' NE2' ' A' ' 54' ' ' GLN . 42.6 ttm180 -139.32 140.68 37.63 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.976 -0.556 . . . . 1.0 109.75 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 20.0 t -79.8 111.61 16.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.582 0.706 . . . . 1.0 111.025 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -64.99 -35.48 81.33 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.716 -0.674 . . . . 1.0 110.87 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.473 ' CD1' ' H ' ' A' ' 50' ' ' ILE . 3.0 mp -63.6 -43.52 98.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.046 0.45 . . . . 1.0 111.081 -178.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 56.1 m -111.36 -69.66 0.86 Allowed 'General case' 0 N--CA 1.471 0.6 0 O-C-N 122.045 -0.41 . . . . 1.0 110.47 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 141.9 6.55 0.79 Allowed Glycine 0 CA--C 1.528 0.862 0 N-CA-C 111.978 -0.449 . . . . 1.0 111.978 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.71 141.38 55.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 117.833 0.817 . . . . 1.0 111.771 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.519 ' NE2' HH21 ' A' ' 47' ' ' ARG . 88.9 mt-30 -99.07 145.33 27.23 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.232 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -132.99 147.52 52.28 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 122.084 0.945 . . . . 1.0 111.703 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -93.25 -14.64 26.79 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.699 -0.682 . . . . 1.0 109.915 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -141.25 146.14 41.47 Favored Pre-proline 0 N--CA 1.474 0.731 0 O-C-N 122.061 -0.4 . . . . 1.0 110.867 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -69.14 -28.99 27.56 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.057 1.838 . . . . 1.0 112.015 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.53 -42.42 92.26 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 110.051 -0.351 . . . . 1.0 110.051 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -63.25 -42.98 99.25 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.961 -0.385 . . . . 1.0 109.961 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 64' ' ' HIS . 1.6 tt -66.45 -45.22 80.51 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.083 -0.71 . . . . 1.0 109.083 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.417 ' O ' ' OG1' ' A' ' 65' ' ' THR . 16.9 ttmm -47.87 -41.1 23.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.623 0.725 . . . . 1.0 109.251 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 93.3 m -66.76 -32.42 73.7 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.723 -0.671 . . . . 1.0 109.735 178.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 61' ' ' LEU . 79.1 t60 -74.9 -38.68 61.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.727 0.775 . . . . 1.0 109.408 179.318 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 62' ' ' LYS . 61.0 p -60.22 -32.93 71.57 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.352 -0.61 . . . . 1.0 109.352 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -59.27 -35.8 74.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.231 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 67.5 mt -63.41 -43.05 98.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 110.014 -0.365 . . . . 1.0 110.014 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 35.0 m-70 -67.49 -37.83 83.42 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 121.999 -0.438 . . . . 1.0 110.347 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 85.0 p -62.57 153.27 32.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.265 0.555 . . . . 1.0 110.325 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 151.81 1.99 0.22 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.904 -0.878 . . . . 1.0 110.904 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -163.82 170.59 16.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.878 0.371 . . . . 1.0 110.636 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp 53.98 73.05 0.97 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 120.767 0.318 . . . . 1.0 110.458 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -53.27 -38.4 81.78 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.817 2.344 . . . . 1.0 112.58 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.948 -1.025 . . . . 1.0 110.39 -179.665 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.533 ' SD ' ' N ' ' A' ' 11' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.435 -0.58 . . . . 1.0 109.435 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 65.1 p -70.76 138.64 50.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 1.0 110.207 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.6 p-80 -72.49 -17.07 61.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.997 0.427 . . . . 1.0 110.643 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 65.3 m -58.45 -37.73 76.06 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.949 -0.469 . . . . 1.0 111.757 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -69.75 -43.65 71.81 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 121.91 -0.494 . . . . 1.0 110.911 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -132.25 70.69 80.05 Favored Pre-proline 0 N--CA 1.469 0.518 0 C-N-CA 123.462 0.705 . . . . 1.0 110.054 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -79.11 -15.17 13.07 Favored 'Trans proline' 0 C--N 1.304 -1.794 0 C-N-CA 122.24 1.96 . . . . 1.0 112.085 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.437 ' O ' ' O ' ' A' ' 27' ' ' PHE . 78.7 m-85 -109.75 113.06 25.5 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.246 0.546 . . . . 1.0 110.745 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -140.65 144.06 35.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.655 0.741 . . . . 1.0 109.783 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.2 t -72.78 111.99 8.42 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 121.296 0.57 . . . . 1.0 110.943 -178.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -64.52 -18.78 65.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.747 0.784 . . . . 1.0 110.079 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -66.55 -35.58 80.58 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 121.687 -0.633 . . . . 1.0 110.405 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.8 p -135.84 -168.97 2.31 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.43 0.633 . . . . 1.0 109.899 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -89.37 -3.07 58.6 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.788 -0.57 . . . . 1.0 111.628 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.96 156.52 3.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.816 0.817 . . . . 1.0 111.572 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.9 p -134.85 154.33 51.69 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 121.862 -0.523 . . . . 1.0 110.786 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.437 ' O ' ' O ' ' A' ' 18' ' ' TYR . 95.6 m-85 -150.43 147.96 28.18 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 121.419 0.628 . . . . 1.0 111.554 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -95.97 -1.14 49.67 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.893 -0.594 . . . . 1.0 111.192 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -134.85 135.3 41.58 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.02 0.438 . . . . 1.0 111.091 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -66.88 -34.31 77.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.512 -0.313 . . . . 1.0 110.925 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.36 -35.81 91.91 Favored Glycine 0 CA--C 1.52 0.352 0 N-CA-C 110.461 -1.056 . . . . 1.0 110.461 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -63.49 -40.6 97.51 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.039 -0.726 . . . . 1.0 109.039 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -41.72 99.18 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.662 -0.495 . . . . 1.0 109.662 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.93 -39.1 88.15 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 109.153 -0.684 . . . . 1.0 109.153 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.9 t -67.15 -45.59 76.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.238 0.542 . . . . 1.0 109.942 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 59.8 t60 -67.56 -41.12 84.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.96 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.7 ttpp -52.75 -21.16 3.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.151 0.5 . . . . 1.0 111.241 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 80.3 p -62.79 -30.03 71.15 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 121.5 -0.75 . . . . 1.0 110.726 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 62.6 t -61.37 -45.57 98.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 123.114 0.566 . . . . 1.0 112.147 -179.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -66.8 -40.08 87.98 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.889 -0.507 . . . . 1.0 111.918 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.9 p -65.3 137.97 57.89 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 121.747 -0.596 . . . . 1.0 111.207 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -175.38 -168.27 35.63 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.074 -0.81 . . . . 1.0 111.074 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.0 160.47 20.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.116 0.484 . . . . 1.0 110.176 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.7 pttp 36.82 72.08 0.86 Allowed Pre-proline 0 N--CA 1.477 0.896 0 O-C-N 121.913 -0.492 . . . . 1.0 110.907 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -50.53 -50.07 14.72 Favored 'Trans proline' 0 C--N 1.304 -1.815 0 C-N-CA 122.925 2.417 . . . . 1.0 113.223 -178.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -137.23 140.87 41.97 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.371 0.605 . . . . 1.0 110.801 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -138.56 144.59 39.93 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.974 -0.557 . . . . 1.0 109.795 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 19.7 t -81.17 113.95 19.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.605 0.717 . . . . 1.0 110.951 -179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -63.93 -37.24 86.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.728 -0.669 . . . . 1.0 110.654 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.48 ' CD1' ' H ' ' A' ' 50' ' ' ILE . 3.1 mp -63.76 -43.81 98.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.057 0.456 . . . . 1.0 110.846 -178.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 59.3 m -109.21 -71.93 0.74 Allowed 'General case' 0 N--CA 1.474 0.745 0 O-C-N 122.038 -0.414 . . . . 1.0 110.641 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.463 ' O ' ' NE2' ' A' ' 54' ' ' GLN . . . 140.08 8.2 0.9 Allowed Glycine 0 CA--C 1.529 0.944 0 N-CA-C 112.051 -0.42 . . . . 1.0 112.051 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.13 139.87 54.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 117.932 0.866 . . . . 1.0 111.52 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.463 ' NE2' ' O ' ' A' ' 52' ' ' GLY . 17.2 mp0 -93.98 145.53 24.58 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.233 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -131.97 148.87 52.54 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 122.157 0.98 . . . . 1.0 111.72 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -94.46 -14.63 25.0 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.632 0.73 . . . . 1.0 110.102 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 64.3 mtp85 -146.26 146.81 29.16 Favored Pre-proline 0 N--CA 1.472 0.663 0 O-C-N 121.993 -0.442 . . . . 1.0 110.643 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -68.31 -26.65 35.2 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 121.711 1.608 . . . . 1.0 111.994 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.73 -42.23 96.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.929 0.395 . . . . 1.0 110.115 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -64.37 -40.89 96.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.17 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 64' ' ' HIS . 1.6 tt -65.2 -45.88 82.96 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.917 -0.771 . . . . 1.0 108.917 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.402 ' O ' ' OG1' ' A' ' 65' ' ' THR . 38.1 ttmt -48.55 -40.39 26.9 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.225 -0.657 . . . . 1.0 109.225 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 16.4 m -65.57 -34.53 78.46 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.497 -0.557 . . . . 1.0 109.497 178.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 61' ' ' LEU . 86.4 t60 -75.09 -37.2 61.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.39 0.614 . . . . 1.0 109.685 179.184 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 62' ' ' LYS . 80.3 p -61.15 -32.77 72.48 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.278 -0.638 . . . . 1.0 109.278 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -34.34 72.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.622 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 66.6 mt -62.38 -43.24 97.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.722 0.296 . . . . 1.0 110.238 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -66.36 -38.4 87.51 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 122.079 -0.388 . . . . 1.0 110.23 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 59.0 m -72.12 50.86 0.22 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.098 0.475 . . . . 1.0 110.524 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -164.89 88.3 0.1 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.998 -0.841 . . . . 1.0 110.998 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -170.66 34.02 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.145 0.497 . . . . 1.0 110.47 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.415 ' N ' ' CD ' ' A' ' 73' ' ' PRO . 57.7 mttp -141.07 53.63 3.8 Favored Pre-proline 0 N--CA 1.466 0.372 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.034 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.415 ' CD ' ' N ' ' A' ' 72' ' ' LYS . 45.8 Cg_endo -65.64 147.81 86.52 Favored 'Trans proline' 0 N--CA 1.5 1.858 0 C-N-CA 122.583 2.189 . . . . 1.0 112.522 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 118.067 -0.968 . . . . 1.0 110.498 179.853 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.769 0 N-CA-C 109.819 -0.437 . . . . 1.0 109.819 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -61.78 -20.99 71.17 Favored 'Trans proline' 0 N--CA 1.498 1.761 0 C-N-CA 122.186 1.924 . . . . 1.0 112.025 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.455 ' O ' ' O ' ' A' ' 27' ' ' PHE . 61.6 m-85 -118.9 82.33 1.84 Allowed 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 121.568 0.699 . . . . 1.0 110.959 -179.043 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.08 152.18 44.7 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.545 0.688 . . . . 1.0 109.758 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.6 t -71.15 106.34 3.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.039 0.447 . . . . 1.0 111.18 -179.348 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -76.76 49.03 0.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.87 0.843 . . . . 1.0 109.998 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 83.6 mtt85 -142.22 -32.39 0.51 Allowed 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.687 -0.633 . . . . 1.0 110.366 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.7 p -139.72 -173.29 3.59 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.439 0.638 . . . . 1.0 109.908 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -67.21 -33.31 75.09 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.831 -0.543 . . . . 1.0 111.874 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -41.19 142.89 0.47 Allowed 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.43 0.633 . . . . 1.0 111.897 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.9 m -149.58 151.08 33.22 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.953 -0.467 . . . . 1.0 110.748 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.455 ' O ' ' O ' ' A' ' 18' ' ' TYR . 96.0 m-85 -148.49 157.62 43.58 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.332 0.587 . . . . 1.0 111.742 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -97.92 -5.83 33.54 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.906 -0.588 . . . . 1.0 111.154 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -118.92 146.52 44.88 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 121.395 0.617 . . . . 1.0 111.297 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.476 ' H ' ' HD3' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -74.81 -38.59 62.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.905 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.67 -38.53 95.78 Favored Glycine 0 C--N 1.329 0.165 0 N-CA-C 110.169 -1.173 . . . . 1.0 110.169 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.406 ' OD1' ' CD1' ' A' ' 27' ' ' PHE . 28.7 t-20 -63.94 -38.42 91.03 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.456 -0.572 . . . . 1.0 109.456 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.444 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -62.93 -44.19 96.75 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.538 -0.541 . . . . 1.0 109.538 -179.824 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.34 -39.41 93.0 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.438 -0.578 . . . . 1.0 109.438 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.7 t -62.34 -42.93 99.79 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.348 0.594 . . . . 1.0 109.481 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 72.5 t60 -66.93 -33.74 76.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.633 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.8 tttp . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.919 0.39 . . . . 1.0 111.048 -179.391 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 . . . . . 0 N--CA 1.472 0.659 0 CA-C-O 121.192 0.52 . . . . 1.0 110.978 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 78.1 ttt-85 -137.98 130.26 29.07 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.191 0.52 . . . . 1.0 109.672 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.411 ' O ' ' N ' ' A' ' 52' ' ' GLY . 20.9 t -80.05 108.77 13.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.215 0.531 . . . . 1.0 110.962 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -64.05 -32.73 74.39 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 116.164 -0.471 . . . . 1.0 111.234 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 28.0 mt -63.04 -47.87 90.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.077 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 36.0 m -105.66 -58.8 1.85 Allowed 'General case' 0 N--CA 1.476 0.825 0 O-C-N 121.983 -0.448 . . . . 1.0 110.524 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 48' ' ' CYS . . . 127.59 10.64 3.56 Favored Glycine 0 N--CA 1.475 1.274 0 N-CA-C 112.141 -0.384 . . . . 1.0 112.141 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.07 138.83 42.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 117.827 0.814 . . . . 1.0 111.417 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -101.23 135.4 42.77 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.113 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -132.42 143.74 50.02 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 122.346 1.07 . . . . 1.0 111.592 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 53.6 p-10 -102.08 -2.01 30.39 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.453 -0.794 . . . . 1.0 110.08 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -135.28 136.11 23.85 Favored Pre-proline 0 N--CA 1.479 0.982 0 O-C-N 121.983 -0.448 . . . . 1.0 111.044 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.27 -23.92 27.94 Favored 'Trans proline' 0 C--N 1.304 -1.814 0 C-N-CA 121.689 1.593 . . . . 1.0 112.008 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.48 -51.4 69.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.035 0.445 . . . . 1.0 110.152 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -63.17 -38.76 92.46 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.944 -0.391 . . . . 1.0 109.944 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.824 ' O ' HG23 ' A' ' 65' ' ' THR . 0.2 OUTLIER -64.02 -42.39 97.14 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.405 -0.591 . . . . 1.0 109.405 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -59.06 -46.55 87.97 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 108.969 -0.752 . . . . 1.0 108.969 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.1 p -66.32 -31.24 71.91 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.541 -0.54 . . . . 1.0 109.541 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -71.19 -39.8 71.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.743 0.782 . . . . 1.0 109.247 179.024 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.824 HG23 ' O ' ' A' ' 61' ' ' LEU . 50.0 p -62.39 -18.13 60.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.488 0.661 . . . . 1.0 109.554 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 73.4 ttp85 . . . . . 0 CA--C 1.534 0.364 0 CA-C-N 115.597 -0.729 . . . . 1.0 110.383 -179.51 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.0 mttp . . . . . 0 N--CA 1.47 0.544 0 N-CA-C 109.827 -0.434 . . . . 1.0 109.827 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.49 -12.6 20.57 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 121.962 1.775 . . . . 1.0 112.203 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.54 ' O ' ' O ' ' A' ' 27' ' ' PHE . 93.1 m-85 -103.91 101.67 11.46 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.11 0.481 . . . . 1.0 111.022 -179.477 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.8 pttt -141.26 151.35 43.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.359 0.6 . . . . 1.0 110.031 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.1 t -78.67 108.71 12.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.172 0.51 . . . . 1.0 111.463 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -63.65 -33.41 75.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.331 0.586 . . . . 1.0 109.93 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -67.47 -14.78 63.23 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.703 -0.623 . . . . 1.0 110.341 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 60.2 m -137.82 -168.26 2.3 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.379 0.609 . . . . 1.0 110.067 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -100.57 -26.75 13.72 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.822 -0.549 . . . . 1.0 111.481 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.18 157.11 0.09 Allowed 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.517 0.675 . . . . 1.0 111.678 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.8 t -137.26 147.23 45.59 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.944 -0.472 . . . . 1.0 110.774 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.54 ' O ' ' O ' ' A' ' 18' ' ' TYR . 97.7 m-85 -140.34 154.95 46.93 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 121.417 0.627 . . . . 1.0 111.776 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -96.4 -22.41 17.18 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.923 -0.58 . . . . 1.0 111.13 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.43 ' N ' ' CD1' ' A' ' 29' ' ' TYR . 39.1 m-85 -111.15 141.95 43.98 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 121.292 0.568 . . . . 1.0 111.073 -179.03 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -64.99 -38.3 90.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.961 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.44 -38.45 96.32 Favored Glycine 0 CA--C 1.52 0.394 0 N-CA-C 110.482 -1.047 . . . . 1.0 110.482 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -63.23 -38.93 93.11 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.507 -0.553 . . . . 1.0 109.507 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.456 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -62.28 -45.09 94.81 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.272 -0.64 . . . . 1.0 109.272 -179.833 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.82 -36.7 82.97 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.235 -0.654 . . . . 1.0 109.235 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.8 t -62.9 -41.72 99.53 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.413 -0.588 . . . . 1.0 109.413 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -59.39 -39.89 84.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.542 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 97.2 mttt . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.801 0.334 . . . . 1.0 111.124 -179.538 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 . . . . . 0 N--CA 1.472 0.663 0 CA-C-O 121.272 0.558 . . . . 1.0 110.891 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 62.4 ttm-85 -139.5 135.23 33.28 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.148 -0.478 . . . . 1.0 109.857 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 52' ' ' GLY . 18.3 t -78.38 109.27 12.39 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.604 0.716 . . . . 1.0 111.078 -179.613 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -60.25 -38.18 82.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.773 -0.648 . . . . 1.0 110.861 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 17.9 mt -62.11 -45.38 98.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.149 0.5 . . . . 1.0 111.067 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 73.5 m -103.34 -66.44 0.94 Allowed 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.958 -0.464 . . . . 1.0 110.65 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 48' ' ' CYS . . . 121.31 31.67 1.14 Allowed Glycine 0 N--CA 1.474 1.167 0 N-CA-C 111.976 -0.45 . . . . 1.0 111.976 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.34 152.93 19.51 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 117.803 0.802 . . . . 1.0 111.308 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -94.23 140.77 29.35 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.173 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -133.26 149.03 51.98 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 122.138 0.97 . . . . 1.0 111.737 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -108.45 -6.1 16.31 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 115.632 -0.713 . . . . 1.0 110.306 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 -145.13 143.29 19.98 Favored Pre-proline 0 N--CA 1.477 0.889 0 CA-C-O 119.19 -0.433 . . . . 1.0 110.861 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -70.15 -23.73 28.7 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 121.779 1.653 . . . . 1.0 111.932 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.92 -30.18 71.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.165 0.507 . . . . 1.0 110.191 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -66.69 -33.27 75.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.22 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.517 HD22 ' N ' ' A' ' 61' ' ' LEU . 3.3 mm? -63.41 -41.05 98.71 Favored 'General case' 0 CA--C 1.51 -0.593 0 N-CA-C 109.275 -0.639 . . . . 1.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -60.29 -42.98 96.6 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-O 121.896 0.855 . . . . 1.0 109.274 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 19.3 m -70.83 -43.72 67.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.375 -0.83 . . . . 1.0 110.104 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -64.14 -45.56 87.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.464 -0.789 . . . . 1.0 109.601 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.0 p -52.06 -42.02 62.81 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 119.976 -0.69 . . . . 1.0 109.684 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 62.9 ttt-85 . . . . . 0 N--CA 1.471 0.581 0 CA-C-O 121.159 0.504 . . . . 1.0 110.854 179.607 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.7 mptt . . . . . 0 N--CA 1.474 0.746 0 N-CA-C 109.82 -0.437 . . . . 1.0 109.82 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -75.69 -10.69 20.18 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 121.746 1.63 . . . . 1.0 111.988 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.487 ' O ' ' O ' ' A' ' 27' ' ' PHE . 86.7 m-85 -112.11 102.48 10.68 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 121.548 0.69 . . . . 1.0 111.168 -179.412 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -140.94 152.53 45.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.573 0.701 . . . . 1.0 109.729 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.6 t -78.78 108.23 12.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.113 0.483 . . . . 1.0 111.403 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -64.35 -34.01 77.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.456 0.646 . . . . 1.0 109.913 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 85.5 mtt85 -66.36 -19.24 65.75 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.685 -0.634 . . . . 1.0 110.328 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 78.2 m -131.5 -170.91 2.47 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.305 0.574 . . . . 1.0 110.14 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -99.42 -25.27 14.52 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.806 -0.559 . . . . 1.0 111.512 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.1 172.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.34 0.59 . . . . 1.0 111.655 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.8 p -151.48 156.25 40.2 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 121.972 -0.455 . . . . 1.0 110.649 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.487 ' O ' ' O ' ' A' ' 18' ' ' TYR . 97.7 m-85 -148.96 152.72 36.84 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.449 0.642 . . . . 1.0 111.677 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -93.95 -18.75 21.59 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.769 -0.65 . . . . 1.0 111.207 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' A' ' 29' ' ' TYR . 39.4 m-85 -114.97 141.06 48.49 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 121.227 0.537 . . . . 1.0 111.235 -179.195 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -64.83 -38.05 89.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.946 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.78 -37.12 94.22 Favored Glycine 0 CA--C 1.518 0.25 0 N-CA-C 110.318 -1.113 . . . . 1.0 110.318 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -63.04 -38.95 93.23 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.191 -0.67 . . . . 1.0 109.191 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.464 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -62.15 -42.9 99.7 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.569 -0.53 . . . . 1.0 109.569 -179.818 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.87 -38.98 90.24 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 109.296 -0.631 . . . . 1.0 109.296 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.8 p -60.44 -36.95 79.43 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.539 -0.541 . . . . 1.0 109.539 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -68.35 -36.06 78.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.688 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 120.938 0.399 . . . . 1.0 111.036 -179.196 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 . . . . . 0 CA--C 1.522 -0.119 0 CA-C-O 121.416 0.627 . . . . 1.0 111.249 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 60.6 ttm-85 -138.24 132.04 31.13 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.308 0.575 . . . . 1.0 109.88 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.5 t -79.33 108.75 13.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.551 0.691 . . . . 1.0 111.258 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -62.95 -38.49 91.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.833 -0.621 . . . . 1.0 110.843 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.433 ' H ' HD12 ' A' ' 50' ' ' ILE . 3.1 mp -64.78 -45.0 96.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.001 0.429 . . . . 1.0 111.44 -179.401 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 81.1 m -102.86 -72.13 0.7 Allowed 'General case' 0 N--CA 1.469 0.481 0 O-C-N 122.009 -0.432 . . . . 1.0 110.34 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 140.06 2.22 1.65 Allowed Glycine 0 N--CA 1.47 0.904 0 N-CA-C 112.122 -0.391 . . . . 1.0 112.122 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.4 147.5 47.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.721 0.772 . . . . 1.0 111.497 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -101.31 136.06 41.78 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.782 -0.645 . . . . 1.0 109.923 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -129.7 134.2 47.51 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-O 121.913 0.863 . . . . 1.0 111.6 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -98.7 6.55 46.89 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.468 0.651 . . . . 1.0 109.948 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -137.67 132.76 17.59 Favored Pre-proline 0 CA--C 1.544 0.737 0 O-C-N 122.011 -0.431 . . . . 1.0 111.072 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -70.44 -30.19 19.49 Favored 'Trans proline' 0 N--CA 1.499 1.815 0 C-N-CA 121.822 1.681 . . . . 1.0 112.102 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.25 -41.61 98.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.484 -0.325 . . . . 1.0 110.177 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -64.49 -40.25 95.31 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.745 -0.465 . . . . 1.0 109.745 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.832 ' O ' HG23 ' A' ' 65' ' ' THR . 0.2 OUTLIER -63.53 -42.0 98.46 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.315 -0.624 . . . . 1.0 109.315 -179.806 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -59.31 -47.77 84.14 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.006 -0.739 . . . . 1.0 109.006 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.0 m -64.03 -33.41 75.67 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 116.046 -0.525 . . . . 1.0 109.745 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -69.63 -40.72 76.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.779 0.8 . . . . 1.0 109.337 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.832 HG23 ' O ' ' A' ' 61' ' ' LEU . 51.9 p -61.67 -17.96 57.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.352 0.596 . . . . 1.0 109.752 179.684 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 115.7 -0.682 . . . . 1.0 110.323 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp . . . . . 0 N--CA 1.473 0.688 0 N-CA-C 109.994 -0.373 . . . . 1.0 109.994 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -79.65 1.45 9.2 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.148 1.899 . . . . 1.0 112.119 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.413 ' O ' ' O ' ' A' ' 27' ' ' PHE . 78.9 m-85 -136.79 79.95 1.79 Allowed 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 121.323 0.582 . . . . 1.0 110.681 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.496 ' HD2' ' H ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -120.56 137.02 54.62 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 122.039 0.923 . . . . 1.0 109.686 -179.863 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.529 ' N ' HD21 ' A' ' 33' ' ' LEU . 23.0 t -64.92 102.54 0.61 Allowed 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.969 -178.558 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -68.86 -21.1 64.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.565 0.698 . . . . 1.0 109.8 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -67.77 -38.21 83.12 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 121.775 -0.578 . . . . 1.0 110.488 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 75.6 m -115.84 -164.95 0.99 Allowed 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.475 0.655 . . . . 1.0 109.953 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -96.25 -23.66 16.59 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 121.78 -0.575 . . . . 1.0 111.375 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.88 175.0 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.705 0.764 . . . . 1.0 111.481 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.417 ' O ' ' CG ' ' A' ' 27' ' ' PHE . 24.3 t -155.45 156.65 35.66 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 121.868 -0.52 . . . . 1.0 110.791 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.417 ' CG ' ' O ' ' A' ' 26' ' ' SER . 99.7 m-85 -155.03 154.09 31.95 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.426 0.631 . . . . 1.0 111.702 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -96.01 -18.1 20.48 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.896 -0.593 . . . . 1.0 111.413 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -109.62 137.67 47.1 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.166 0.508 . . . . 1.0 111.037 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -68.28 -35.83 78.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.327 -0.397 . . . . 1.0 111.195 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.16 -36.96 93.9 Favored Glycine 0 CA--C 1.519 0.32 0 N-CA-C 110.364 -1.094 . . . . 1.0 110.364 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.414 ' ND2' ' CD1' ' A' ' 27' ' ' PHE . 42.5 t-20 -63.17 -36.55 84.01 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.33 -0.619 . . . . 1.0 109.33 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.529 HD21 ' N ' ' A' ' 20' ' ' CYS . 0.2 OUTLIER -63.59 -39.83 95.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.04 -0.527 . . . . 1.0 109.662 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.51 -38.38 89.69 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 109.187 -0.672 . . . . 1.0 109.187 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.8 t -63.59 -43.19 97.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.195 0.521 . . . . 1.0 109.614 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -74.7 -34.23 62.58 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.772 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.6 tttm . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.041 0.448 . . . . 1.0 111.231 -179.344 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 . . . . . 0 N--CA 1.472 0.666 0 CA-C-O 121.31 0.576 . . . . 1.0 111.105 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 49.1 ptt85 -134.84 147.02 49.81 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.284 0.564 . . . . 1.0 110.004 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.453 ' SG ' ' HB3' ' A' ' 53' ' ' ALA . 0.5 OUTLIER -78.91 140.76 38.02 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 121.187 0.518 . . . . 1.0 111.118 -179.133 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -75.2 -9.71 58.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.953 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 75.4 mt -85.08 -66.06 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-O 120.907 0.384 . . . . 1.0 111.12 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.518 ' SG ' ' N ' ' A' ' 52' ' ' GLY . 28.9 p -94.74 -53.0 4.03 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 122.015 -0.428 . . . . 1.0 110.67 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.518 ' N ' ' SG ' ' A' ' 51' ' ' CYS . . . 120.75 20.73 3.41 Favored Glycine 0 N--CA 1.474 1.195 0 N-CA-C 111.992 -0.443 . . . . 1.0 111.992 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.453 ' HB3' ' SG ' ' A' ' 48' ' ' CYS . . . -51.62 -177.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 117.864 0.832 . . . . 1.0 111.439 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -146.01 138.51 25.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.012 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -149.62 137.74 20.5 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.843 0.83 . . . . 1.0 111.74 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -94.72 3.65 54.78 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.579 0.704 . . . . 1.0 110.051 179.236 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -143.07 142.37 21.66 Favored Pre-proline 0 N--CA 1.473 0.698 0 O-C-N 122.009 -0.432 . . . . 1.0 110.704 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.83 -31.99 14.84 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 121.706 1.604 . . . . 1.0 112.145 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.51 -47.36 84.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.349 . . . . 1.0 110.167 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 60.5 t-20 -64.06 -34.03 77.11 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.803 -0.443 . . . . 1.0 109.803 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.623 ' O ' HG23 ' A' ' 65' ' ' THR . 1.1 tt -61.94 -45.84 91.93 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.014 -0.736 . . . . 1.0 109.014 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.403 ' O ' ' OG1' ' A' ' 65' ' ' THR . 38.8 ttpt -61.5 -40.86 96.12 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.222 -0.659 . . . . 1.0 109.222 179.361 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 25.1 m -67.03 -26.08 66.6 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.878 -0.601 . . . . 1.0 109.719 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.401 ' C ' ' N ' ' A' ' 66' ' ' ARG . 28.2 t60 -82.97 -41.76 18.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.648 0.737 . . . . 1.0 109.281 179.075 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 61' ' ' LEU . 54.6 p -52.02 -18.17 1.3 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.382 0.61 . . . . 1.0 109.653 179.664 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.401 ' N ' ' C ' ' A' ' 64' ' ' HIS . 96.9 mtt180 . . . . . 0 CA--C 1.533 0.309 0 CA-C-N 115.645 -0.707 . . . . 1.0 110.189 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.0 mttt . . . . . 0 N--CA 1.468 0.453 0 N-CA-C 109.89 -0.411 . . . . 1.0 109.89 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -73.72 -14.0 24.45 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.165 1.91 . . . . 1.0 112.196 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.514 ' O ' ' O ' ' A' ' 27' ' ' PHE . 79.3 m-85 -105.71 109.63 21.65 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.009 0.433 . . . . 1.0 110.925 -179.408 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -142.23 152.59 43.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.152 0.501 . . . . 1.0 110.089 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.1 t -75.46 110.41 9.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.309 0.576 . . . . 1.0 111.253 -179.509 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 22' ' ' ARG . 47.2 p-10 -61.36 -32.65 72.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.56 0.695 . . . . 1.0 110.041 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.488 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 0.5 OUTLIER -67.79 -44.63 76.95 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.711 -0.618 . . . . 1.0 110.221 179.811 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 58.7 m -108.81 -141.63 0.38 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.982 0.42 . . . . 1.0 110.482 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -133.53 -21.83 1.97 Allowed 'General case' 0 N--CA 1.47 0.573 0 O-C-N 121.74 -0.6 . . . . 1.0 111.435 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.51 98.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.549 0.69 . . . . 1.0 111.787 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.3 m -73.39 141.35 46.99 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.887 -0.508 . . . . 1.0 110.957 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.514 ' O ' ' O ' ' A' ' 18' ' ' TYR . 70.3 m-85 -128.55 147.17 50.68 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-O 121.431 0.634 . . . . 1.0 111.92 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -96.26 -0.93 49.07 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.615 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -130.16 137.49 50.14 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.112 0.482 . . . . 1.0 111.099 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -67.74 -33.21 74.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.35 -0.386 . . . . 1.0 111.101 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -66.76 -36.51 91.31 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.134 -1.186 . . . . 1.0 110.134 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.409 ' OD1' ' CD1' ' A' ' 27' ' ' PHE . 25.4 t-20 -64.51 -40.54 95.83 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.558 -0.534 . . . . 1.0 109.558 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 33' ' ' LEU . 0.6 OUTLIER -63.7 -44.5 93.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.461 0.648 . . . . 1.0 109.497 -179.666 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.37 -39.28 93.56 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.37 -0.604 . . . . 1.0 109.37 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.7 t -61.45 -43.26 99.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.371 0.605 . . . . 1.0 109.483 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -65.88 -35.01 79.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.812 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt . . . . . 0 C--N 1.33 -0.274 0 CA-C-O 121.024 0.44 . . . . 1.0 110.978 -179.224 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 . . . . . 0 N--CA 1.473 0.687 0 CA-C-O 121.381 0.61 . . . . 1.0 111.027 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 60.9 ttm-85 -139.64 136.86 34.76 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.243 0.544 . . . . 1.0 109.677 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.2 t -76.4 114.03 14.65 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.783 0.801 . . . . 1.0 110.884 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -63.63 -35.6 81.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.552 -0.749 . . . . 1.0 110.956 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 26.7 mt -62.48 -43.81 98.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.911 0.386 . . . . 1.0 111.032 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 23.8 m -113.83 -70.53 0.8 Allowed 'General case' 0 N--CA 1.474 0.731 0 O-C-N 122.06 -0.4 . . . . 1.0 110.681 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 140.62 12.27 0.59 Allowed Glycine 0 CA--C 1.531 1.076 0 N-CA-C 112.034 -0.426 . . . . 1.0 112.034 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.09 139.78 54.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 117.882 0.841 . . . . 1.0 111.581 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -92.94 142.95 26.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.126 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -132.28 138.29 47.8 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 121.984 0.897 . . . . 1.0 111.818 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -90.23 -13.49 35.32 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.587 0.708 . . . . 1.0 110.29 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 62.9 mtt85 -143.69 146.06 33.57 Favored Pre-proline 0 N--CA 1.475 0.793 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.657 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -68.55 -27.94 32.35 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 121.654 1.569 . . . . 1.0 111.917 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.25 -40.2 93.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 1.0 110.141 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -63.98 -38.21 90.23 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.902 -0.407 . . . . 1.0 109.902 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.21 -42.98 99.79 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.048 -0.723 . . . . 1.0 109.048 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.6 ttmm -54.11 -39.55 66.5 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.091 -0.707 . . . . 1.0 109.091 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.6 m -66.24 -35.28 80.0 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.832 -0.622 . . . . 1.0 109.646 179.115 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -73.63 -42.87 60.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.582 0.706 . . . . 1.0 109.732 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.3 p -55.77 -33.89 64.76 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.499 -0.556 . . . . 1.0 109.499 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 60.7 ttt85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.172 179.665 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? . . . . . 0 N--CA 1.473 0.724 0 N-CA-C 109.64 -0.504 . . . . 1.0 109.64 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -75.09 -14.12 21.04 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 121.809 1.673 . . . . 1.0 111.937 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.505 ' O ' ' O ' ' A' ' 27' ' ' PHE . 81.2 m-85 -114.09 103.28 10.97 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 121.574 0.702 . . . . 1.0 111.234 -179.361 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -141.02 152.08 44.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.516 0.674 . . . . 1.0 109.849 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.4 t -80.83 106.58 12.94 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.987 -0.446 . . . . 1.0 111.3 -179.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -63.31 -27.57 69.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.532 0.682 . . . . 1.0 109.967 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -69.08 -17.96 63.93 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 121.739 -0.601 . . . . 1.0 110.586 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 34.3 m -136.86 -172.99 3.31 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.334 0.587 . . . . 1.0 110.07 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -96.7 -15.99 21.14 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.815 -0.553 . . . . 1.0 111.758 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.13 150.65 20.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.707 0.765 . . . . 1.0 111.536 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.8 m -131.97 152.35 51.17 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.832 -0.543 . . . . 1.0 110.882 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.505 ' O ' ' O ' ' A' ' 18' ' ' TYR . 97.4 m-85 -143.83 150.71 38.91 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 121.363 0.601 . . . . 1.0 111.716 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.451 ' NH2' ' CE2' ' A' ' 29' ' ' TYR . 63.2 ttp85 -91.2 -17.44 26.04 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.929 -0.578 . . . . 1.0 111.042 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.451 ' CE2' ' NH2' ' A' ' 28' ' ' ARG . 17.5 m-85 -112.8 146.85 38.1 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-O 121.386 0.612 . . . . 1.0 111.242 -179.077 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -72.11 -35.12 69.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.293 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.71 -35.86 86.43 Favored Glycine 0 CA--C 1.518 0.278 0 N-CA-C 110.361 -1.095 . . . . 1.0 110.361 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -62.83 -38.98 92.91 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.17 -0.678 . . . . 1.0 109.17 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.459 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -60.88 -44.4 97.13 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.496 -0.557 . . . . 1.0 109.496 -179.65 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.05 -37.04 80.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.31 0.576 . . . . 1.0 109.53 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.4 t -60.73 -41.08 94.59 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.43 -0.581 . . . . 1.0 109.43 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 39.0 t60 -66.71 -41.54 87.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.574 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.5 tttp . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 121.053 0.454 . . . . 1.0 111.151 -178.874 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 . . . . . 0 N--CA 1.475 0.789 0 CA-C-O 121.424 0.631 . . . . 1.0 110.709 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -138.93 138.92 37.79 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.004 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.4 t -75.7 118.37 18.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.553 0.692 . . . . 1.0 110.988 -179.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -70.03 -26.57 64.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.827 -0.624 . . . . 1.0 111.015 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.652 HD12 ' N ' ' A' ' 50' ' ' ILE . 1.9 mp -62.76 -43.91 99.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.104 -178.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 52' ' ' GLY . 11.9 p -123.17 -61.86 1.38 Allowed 'General case' 0 N--CA 1.473 0.703 0 O-C-N 122.086 -0.383 . . . . 1.0 110.5 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.45 ' N ' ' SG ' ' A' ' 51' ' ' CYS . . . 144.38 6.54 0.53 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.99 -0.444 . . . . 1.0 111.99 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.83 137.99 58.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 117.76 0.78 . . . . 1.0 111.572 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -100.01 141.81 32.33 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.794 -0.639 . . . . 1.0 110.267 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -132.21 146.33 51.94 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 121.858 0.837 . . . . 1.0 111.78 -179.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -92.77 -9.68 39.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.366 0.603 . . . . 1.0 109.886 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 -144.33 144.66 26.39 Favored Pre-proline 0 CA--C 1.542 0.666 0 O-C-N 122.083 -0.385 . . . . 1.0 110.885 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.91 -28.85 35.41 Favored 'Trans proline' 0 N--CA 1.5 1.871 0 C-N-CA 121.846 1.697 . . . . 1.0 111.972 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.96 -45.47 86.65 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.022 -0.362 . . . . 1.0 110.022 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -63.85 -35.54 80.96 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.916 -0.402 . . . . 1.0 109.916 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.771 ' O ' HG23 ' A' ' 65' ' ' THR . 0.9 OUTLIER -62.65 -45.21 93.87 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.256 -0.646 . . . . 1.0 109.256 -179.703 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -61.6 -41.35 97.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.566 0.698 . . . . 1.0 109.418 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 97.9 m -68.09 -27.15 66.23 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.684 -0.689 . . . . 1.0 109.79 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -81.5 -38.53 26.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.628 0.728 . . . . 1.0 109.431 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.771 HG23 ' O ' ' A' ' 61' ' ' LEU . 77.4 p -58.1 -30.43 66.26 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.429 -0.582 . . . . 1.0 109.429 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 . . . . . 0 N--CA 1.452 -0.353 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.261 178.876 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt . . . . . 0 N--CA 1.471 0.599 0 N-CA-C 109.855 -0.424 . . . . 1.0 109.855 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -73.73 -17.94 22.58 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.05 1.833 . . . . 1.0 112.31 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.539 ' O ' ' O ' ' A' ' 27' ' ' PHE . 95.7 m-85 -96.09 107.4 19.71 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 121.297 0.57 . . . . 1.0 110.759 -179.235 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -140.48 152.04 45.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.448 0.642 . . . . 1.0 109.691 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.6 t -81.01 99.89 8.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.199 0.523 . . . . 1.0 111.126 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -57.74 -31.97 66.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.666 0.746 . . . . 1.0 109.894 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -69.26 -19.88 63.93 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.707 -0.62 . . . . 1.0 110.424 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 84.0 m -133.49 -163.46 1.36 Allowed 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.462 0.649 . . . . 1.0 110.038 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.56 ' H ' ' CD ' ' A' ' 24' ' ' GLN . 3.0 pm0 -110.03 -3.17 16.63 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 121.715 -0.615 . . . . 1.0 111.489 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.24 145.02 54.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.665 0.745 . . . . 1.0 111.427 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.5 p -118.47 141.94 48.07 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.898 -0.501 . . . . 1.0 110.915 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.539 ' O ' ' O ' ' A' ' 18' ' ' TYR . 95.9 m-85 -132.47 150.06 52.22 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 121.555 0.693 . . . . 1.0 111.995 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -95.8 -20.1 19.11 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.651 -0.704 . . . . 1.0 111.213 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.42 ' N ' ' CD1' ' A' ' 29' ' ' TYR . 44.8 m-85 -114.83 145.27 42.33 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 121.39 0.614 . . . . 1.0 111.066 -179.029 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -66.85 -38.24 86.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.502 . . . . 1.0 111.05 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.27 -37.03 94.23 Favored Glycine 0 CA--C 1.518 0.268 0 N-CA-C 110.267 -1.133 . . . . 1.0 110.267 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -62.8 -39.47 94.36 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.379 -0.6 . . . . 1.0 109.379 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.422 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -64.01 -43.99 93.97 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 121.45 0.643 . . . . 1.0 109.576 -179.803 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.44 -36.28 78.81 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.44 -0.578 . . . . 1.0 109.44 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.3 t -58.66 -42.07 87.56 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.313 -0.625 . . . . 1.0 109.313 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -66.62 -35.69 80.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.409 -0.36 . . . . 1.0 110.76 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.0 tptt . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 121.146 0.498 . . . . 1.0 111.239 -179.377 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 . . . . . 0 N--CA 1.475 0.794 0 CA-C-O 121.489 0.662 . . . . 1.0 111.114 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -137.85 124.81 21.32 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.452 0.644 . . . . 1.0 109.906 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.88 110.36 8.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.508 0.67 . . . . 1.0 111.066 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 41.7 p-10 -72.6 -25.03 61.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.976 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.1 mp -62.62 -47.98 90.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 1.0 111.513 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.504 ' SG ' ' N ' ' A' ' 52' ' ' GLY . 26.3 p -115.58 -57.07 2.28 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 122.074 -0.392 . . . . 1.0 110.606 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.504 ' N ' ' SG ' ' A' ' 51' ' ' CYS . . . 143.78 -3.38 1.54 Allowed Glycine 0 N--CA 1.47 0.946 0 N-CA-C 112.126 -0.39 . . . . 1.0 112.126 179.304 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.22 173.45 0.07 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.719 0.771 . . . . 1.0 111.667 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -137.59 145.38 42.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.735 -0.666 . . . . 1.0 110.148 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -150.86 152.53 33.84 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.912 0.863 . . . . 1.0 111.719 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -98.28 2.07 47.81 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.519 0.676 . . . . 1.0 109.983 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -140.82 139.91 20.75 Favored Pre-proline 0 N--CA 1.478 0.935 0 O-C-N 121.988 -0.445 . . . . 1.0 110.931 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.69 -33.39 8.3 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 121.466 1.444 . . . . 1.0 112.138 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.89 -45.45 92.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.965 0.412 . . . . 1.0 110.073 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.1 t-20 -63.44 -27.3 69.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.14 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.824 ' O ' HG23 ' A' ' 65' ' ' THR . 1.2 tt -61.4 -48.96 78.81 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.076 -0.712 . . . . 1.0 109.076 -179.69 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -63.62 -43.5 96.65 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.195 -0.668 . . . . 1.0 109.195 179.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 10.7 m -63.37 -34.46 77.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.925 -0.58 . . . . 1.0 109.62 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.439 ' C ' ' N ' ' A' ' 66' ' ' ARG . 1.5 t60 -72.43 -50.02 29.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.767 0.794 . . . . 1.0 109.14 179.108 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.824 HG23 ' O ' ' A' ' 61' ' ' LEU . 81.9 p -48.57 -18.14 0.22 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.952 0.882 . . . . 1.0 109.941 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.439 ' N ' ' C ' ' A' ' 64' ' ' HIS . 59.4 ttp180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 115.109 -0.95 . . . . 1.0 110.414 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 96.7 mttt . . . . . 0 N--CA 1.471 0.61 0 N-CA-C 109.536 -0.542 . . . . 1.0 109.536 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -77.37 -11.25 17.44 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.239 1.959 . . . . 1.0 112.063 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.511 ' O ' ' O ' ' A' ' 27' ' ' PHE . 68.2 m-85 -116.56 104.71 11.68 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.418 0.628 . . . . 1.0 110.956 -179.432 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -141.76 153.48 44.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.438 0.637 . . . . 1.0 109.826 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.6 t -76.58 111.2 11.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.972 0.415 . . . . 1.0 111.315 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' A' ' 22' ' ' ARG . 48.0 p-10 -66.11 -31.99 73.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.464 0.649 . . . . 1.0 109.955 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.451 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 75.2 ttt180 -68.0 -41.88 81.61 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.68 -0.638 . . . . 1.0 110.428 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 72.0 m -107.18 -171.56 1.91 Allowed 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.365 0.603 . . . . 1.0 110.128 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -99.66 -20.21 16.42 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.749 -0.595 . . . . 1.0 111.442 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.46 160.22 0.88 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.608 0.718 . . . . 1.0 111.494 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.5 t -139.64 145.78 38.9 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.919 -0.488 . . . . 1.0 110.719 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.511 ' O ' ' O ' ' A' ' 18' ' ' TYR . 98.9 m-85 -132.47 153.43 50.89 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 121.41 0.624 . . . . 1.0 111.828 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 91.2 mtm180 -96.27 -3.66 43.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.826 -0.624 . . . . 1.0 110.989 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -131.92 146.59 52.2 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 121.417 0.627 . . . . 1.0 111.036 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -70.41 -35.36 73.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.96 -0.563 . . . . 1.0 111.363 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.44 -37.83 94.21 Favored Glycine 0 CA--C 1.517 0.198 0 N-CA-C 110.192 -1.163 . . . . 1.0 110.192 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -63.43 -39.19 93.82 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.338 -0.616 . . . . 1.0 109.338 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.473 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -61.84 -43.51 98.71 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.469 -0.567 . . . . 1.0 109.469 -179.901 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.75 -37.18 81.79 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 109.395 -0.594 . . . . 1.0 109.395 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.1 t -61.55 -39.24 90.37 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.195 0.521 . . . . 1.0 109.641 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -66.36 -35.45 80.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.862 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.1 pttp . . . . . 0 N--CA 1.468 0.463 0 CA-C-O 121.573 0.701 . . . . 1.0 111.56 -179.22 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 . . . . . 0 N--CA 1.475 0.817 0 CA-C-O 121.589 0.709 . . . . 1.0 111.081 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -139.32 140.38 37.54 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.882 -0.599 . . . . 1.0 109.868 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.0 t -79.17 114.64 18.27 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.511 0.672 . . . . 1.0 110.923 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 -65.73 -33.39 75.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.821 -0.627 . . . . 1.0 111.174 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 30.9 mt -63.45 -43.19 98.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-O 121.03 0.443 . . . . 1.0 111.066 -179.15 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 16.3 m -115.76 -70.54 0.79 Allowed 'General case' 0 N--CA 1.475 0.815 0 O-C-N 122.019 -0.425 . . . . 1.0 110.472 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.467 ' O ' ' NE2' ' A' ' 54' ' ' GLN . . . 143.05 12.84 0.36 Allowed Glycine 0 CA--C 1.531 1.064 0 N-CA-C 112.041 -0.424 . . . . 1.0 112.041 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.2 137.89 51.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 117.827 0.813 . . . . 1.0 111.642 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.467 ' NE2' ' O ' ' A' ' 52' ' ' GLY . 21.3 mp0 -92.99 144.34 25.35 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.958 -0.564 . . . . 1.0 110.101 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -134.76 140.37 45.86 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 121.77 0.795 . . . . 1.0 111.905 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -92.07 3.21 55.76 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.556 0.693 . . . . 1.0 109.909 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.3 ptp85 -166.8 147.76 5.26 Favored Pre-proline 0 CA--C 1.543 0.694 0 O-C-N 122.006 -0.434 . . . . 1.0 110.508 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.82 -27.26 44.11 Favored 'Trans proline' 0 N--CA 1.497 1.729 0 C-N-CA 122.186 1.924 . . . . 1.0 111.925 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.22 -46.73 79.38 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 110.111 -0.329 . . . . 1.0 110.111 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -65.54 -38.78 90.59 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.938 -0.393 . . . . 1.0 109.938 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 64' ' ' HIS . 1.3 tt -63.56 -49.36 73.74 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.034 -0.728 . . . . 1.0 109.034 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -45.45 -43.1 11.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.683 0.754 . . . . 1.0 109.676 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.2 m -63.51 -37.51 87.6 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.646 -0.706 . . . . 1.0 109.518 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.457 ' N ' ' O ' ' A' ' 61' ' ' LEU . 79.7 t60 -71.39 -39.55 71.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.799 0.809 . . . . 1.0 109.542 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 61' ' ' LEU . 72.1 p -60.91 -33.15 72.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.901 -0.591 . . . . 1.0 109.42 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.173 179.62 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.646 0 N-CA-C 109.504 -0.554 . . . . 1.0 109.504 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -77.42 -17.27 14.72 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.116 1.877 . . . . 1.0 112.017 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.461 ' O ' ' O ' ' A' ' 27' ' ' PHE . 91.8 m-85 -105.79 111.32 23.94 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 121.606 0.717 . . . . 1.0 111.004 -179.412 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -142.09 141.0 32.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.642 0.734 . . . . 1.0 109.789 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.46 ' N ' HD21 ' A' ' 33' ' ' LEU . 12.4 t -67.97 112.67 5.11 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.067 0.461 . . . . 1.0 110.97 -178.75 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' A' ' 22' ' ' ARG . 33.6 p30 -66.19 -32.97 74.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.574 0.702 . . . . 1.0 110.008 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.505 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 8.1 tpm_? -67.66 -21.77 65.34 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.652 -0.655 . . . . 1.0 110.654 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 74.3 m -126.63 -174.67 3.19 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.493 0.663 . . . . 1.0 109.942 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -104.9 1.07 28.54 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.788 -0.57 . . . . 1.0 111.434 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.07 -178.09 0.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.455 0.645 . . . . 1.0 111.46 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.414 ' C ' ' CD1' ' A' ' 27' ' ' PHE . 35.7 p -149.39 156.12 41.55 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.911 -0.493 . . . . 1.0 110.73 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.461 ' O ' ' O ' ' A' ' 18' ' ' TYR . 96.5 m-85 -151.48 152.55 33.16 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.35 0.595 . . . . 1.0 111.544 -179.381 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -95.8 -19.21 19.79 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.925 -0.579 . . . . 1.0 111.213 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -118.02 138.91 51.89 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 121.246 0.546 . . . . 1.0 111.273 -179.068 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -67.22 -34.98 78.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.937 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.7 -34.86 90.08 Favored Glycine 0 CA--C 1.518 0.229 0 N-CA-C 110.317 -1.113 . . . . 1.0 110.317 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -63.33 -38.24 90.4 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 108.869 -0.789 . . . . 1.0 108.869 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.534 ' O ' HD13 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -62.66 -42.36 99.58 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.775 -0.454 . . . . 1.0 109.775 -179.899 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.84 90.18 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 109.235 -0.654 . . . . 1.0 109.235 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 55.7 m -62.74 -43.6 98.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.281 0.563 . . . . 1.0 109.762 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -72.83 -34.91 67.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.692 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.4 tttp . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 121.072 0.463 . . . . 1.0 111.201 -179.211 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 . . . . . 0 N--CA 1.472 0.664 0 CA-C-O 121.418 0.628 . . . . 1.0 110.95 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -139.32 140.68 37.63 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.976 -0.556 . . . . 1.0 109.75 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 20.0 t -79.8 111.61 16.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.582 0.706 . . . . 1.0 111.025 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -64.99 -35.48 81.33 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.716 -0.674 . . . . 1.0 110.87 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.66 HD12 ' N ' ' A' ' 50' ' ' ILE . 3.0 mp -63.6 -43.52 98.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.046 0.45 . . . . 1.0 111.081 -178.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 56.1 m -111.36 -69.66 0.86 Allowed 'General case' 0 N--CA 1.471 0.6 0 O-C-N 122.045 -0.41 . . . . 1.0 110.47 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 141.9 6.55 0.79 Allowed Glycine 0 CA--C 1.528 0.862 0 N-CA-C 111.978 -0.449 . . . . 1.0 111.978 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.71 141.38 55.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 117.833 0.817 . . . . 1.0 111.771 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -99.07 145.33 27.23 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.232 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -132.99 147.52 52.28 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 122.084 0.945 . . . . 1.0 111.703 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -93.25 -14.64 26.79 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.699 -0.682 . . . . 1.0 109.915 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -141.25 146.14 41.47 Favored Pre-proline 0 N--CA 1.474 0.731 0 O-C-N 122.061 -0.4 . . . . 1.0 110.867 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -69.14 -28.99 27.56 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.057 1.838 . . . . 1.0 112.015 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.53 -42.42 92.26 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 110.051 -0.351 . . . . 1.0 110.051 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -63.25 -42.98 99.25 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.961 -0.385 . . . . 1.0 109.961 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 64' ' ' HIS . 1.6 tt -66.45 -45.22 80.51 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.083 -0.71 . . . . 1.0 109.083 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -47.87 -41.1 23.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.623 0.725 . . . . 1.0 109.251 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 93.3 m -66.76 -32.42 73.7 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.723 -0.671 . . . . 1.0 109.735 178.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 61' ' ' LEU . 79.1 t60 -74.9 -38.68 61.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.727 0.775 . . . . 1.0 109.408 179.318 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 61.0 p -60.22 -32.93 71.57 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.352 -0.61 . . . . 1.0 109.352 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.231 179.426 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt . . . . . 0 N--CA 1.469 0.518 0 N-CA-C 110.054 -0.35 . . . . 1.0 110.054 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -79.11 -15.17 13.07 Favored 'Trans proline' 0 C--N 1.304 -1.794 0 C-N-CA 122.24 1.96 . . . . 1.0 112.085 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.437 ' O ' ' O ' ' A' ' 27' ' ' PHE . 78.7 m-85 -109.75 113.06 25.5 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.246 0.546 . . . . 1.0 110.745 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -140.65 144.06 35.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.655 0.741 . . . . 1.0 109.783 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.408 ' N ' HD21 ' A' ' 33' ' ' LEU . 11.2 t -72.78 111.99 8.42 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 121.296 0.57 . . . . 1.0 110.943 -178.714 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -64.52 -18.78 65.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.747 0.784 . . . . 1.0 110.079 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -66.55 -35.58 80.58 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 121.687 -0.633 . . . . 1.0 110.405 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.8 p -135.84 -168.97 2.31 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.43 0.633 . . . . 1.0 109.899 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -89.37 -3.07 58.6 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.788 -0.57 . . . . 1.0 111.628 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.96 156.52 3.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.816 0.817 . . . . 1.0 111.572 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.9 p -134.85 154.33 51.69 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 121.862 -0.523 . . . . 1.0 110.786 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.437 ' O ' ' O ' ' A' ' 18' ' ' TYR . 95.6 m-85 -150.43 147.96 28.18 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 121.419 0.628 . . . . 1.0 111.554 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -95.97 -1.14 49.67 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.893 -0.594 . . . . 1.0 111.192 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -134.85 135.3 41.58 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.02 0.438 . . . . 1.0 111.091 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -66.88 -34.31 77.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.512 -0.313 . . . . 1.0 110.925 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.36 -35.81 91.91 Favored Glycine 0 CA--C 1.52 0.352 0 N-CA-C 110.461 -1.056 . . . . 1.0 110.461 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -63.49 -40.6 97.51 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.039 -0.726 . . . . 1.0 109.039 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.486 ' O ' HD13 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -62.63 -41.72 99.18 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.662 -0.495 . . . . 1.0 109.662 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.93 -39.1 88.15 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 109.153 -0.684 . . . . 1.0 109.153 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.9 t -67.15 -45.59 76.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.238 0.542 . . . . 1.0 109.942 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 59.8 t60 -67.56 -41.12 84.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.96 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.7 ttpp . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.151 0.5 . . . . 1.0 111.241 -179.221 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 . . . . . 0 N--CA 1.471 0.614 0 CA-C-O 121.371 0.605 . . . . 1.0 110.801 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -138.56 144.59 39.93 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.974 -0.557 . . . . 1.0 109.795 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 19.7 t -81.17 113.95 19.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.605 0.717 . . . . 1.0 110.951 -179.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -63.93 -37.24 86.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.728 -0.669 . . . . 1.0 110.654 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.678 ' H ' HD12 ' A' ' 50' ' ' ILE . 3.1 mp -63.76 -43.81 98.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.057 0.456 . . . . 1.0 110.846 -178.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 59.3 m -109.21 -71.93 0.74 Allowed 'General case' 0 N--CA 1.474 0.745 0 O-C-N 122.038 -0.414 . . . . 1.0 110.641 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.463 ' O ' ' NE2' ' A' ' 54' ' ' GLN . . . 140.08 8.2 0.9 Allowed Glycine 0 CA--C 1.529 0.944 0 N-CA-C 112.051 -0.42 . . . . 1.0 112.051 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.13 139.87 54.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 117.932 0.866 . . . . 1.0 111.52 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.463 ' NE2' ' O ' ' A' ' 52' ' ' GLY . 17.2 mp0 -93.98 145.53 24.58 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.233 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -131.97 148.87 52.54 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 122.157 0.98 . . . . 1.0 111.72 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -94.46 -14.63 25.0 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.632 0.73 . . . . 1.0 110.102 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 64.3 mtp85 -146.26 146.81 29.16 Favored Pre-proline 0 N--CA 1.472 0.663 0 O-C-N 121.993 -0.442 . . . . 1.0 110.643 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -68.31 -26.65 35.2 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 121.711 1.608 . . . . 1.0 111.994 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.73 -42.23 96.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.929 0.395 . . . . 1.0 110.115 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -64.37 -40.89 96.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.17 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 64' ' ' HIS . 1.6 tt -65.2 -45.88 82.96 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.917 -0.771 . . . . 1.0 108.917 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -48.55 -40.39 26.9 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.225 -0.657 . . . . 1.0 109.225 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 16.4 m -65.57 -34.53 78.46 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.497 -0.557 . . . . 1.0 109.497 178.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 61' ' ' LEU . 86.4 t60 -75.09 -37.2 61.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.39 0.614 . . . . 1.0 109.685 179.184 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 80.3 p -61.15 -32.77 72.48 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.278 -0.638 . . . . 1.0 109.278 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.622 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.001 -0.74 . . . . 1.0 109.001 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.8 t -150.7 154.83 38.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.98 0.419 . . . . 1.0 110.137 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -75.55 128.43 35.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.543 0.687 . . . . 1.0 110.705 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.6 t -168.39 106.01 0.47 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.09 0.472 . . . . 1.0 111.231 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -148.05 20.7 1.11 Allowed 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.876 -0.515 . . . . 1.0 111.166 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.56 79.07 69.9 Favored Pre-proline 0 N--CA 1.474 0.769 0 C-N-CA 123.342 0.657 . . . . 1.0 109.819 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -61.78 -20.99 71.17 Favored 'Trans proline' 0 N--CA 1.498 1.761 0 C-N-CA 122.186 1.924 . . . . 1.0 112.025 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.455 ' O ' ' O ' ' A' ' 27' ' ' PHE . 61.6 m-85 -118.9 82.33 1.84 Allowed 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 121.568 0.699 . . . . 1.0 110.959 -179.043 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.08 152.18 44.7 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.545 0.688 . . . . 1.0 109.758 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.6 t -71.15 106.34 3.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.039 0.447 . . . . 1.0 111.18 -179.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -76.76 49.03 0.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.87 0.843 . . . . 1.0 109.998 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 83.6 mtt85 -142.22 -32.39 0.51 Allowed 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.687 -0.633 . . . . 1.0 110.366 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.7 p -139.72 -173.29 3.59 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.439 0.638 . . . . 1.0 109.908 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -67.21 -33.31 75.09 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.831 -0.543 . . . . 1.0 111.874 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -41.19 142.89 0.47 Allowed 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.43 0.633 . . . . 1.0 111.897 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.9 m -149.58 151.08 33.22 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.953 -0.467 . . . . 1.0 110.748 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.455 ' O ' ' O ' ' A' ' 18' ' ' TYR . 96.0 m-85 -148.49 157.62 43.58 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.332 0.587 . . . . 1.0 111.742 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -97.92 -5.83 33.54 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.906 -0.588 . . . . 1.0 111.154 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -118.92 146.52 44.88 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 121.395 0.617 . . . . 1.0 111.297 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.476 ' H ' ' HD3' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -74.81 -38.59 62.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.905 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.67 -38.53 95.78 Favored Glycine 0 C--N 1.329 0.165 0 N-CA-C 110.169 -1.173 . . . . 1.0 110.169 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.406 ' OD1' ' CD1' ' A' ' 27' ' ' PHE . 28.7 t-20 -63.94 -38.42 91.03 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.456 -0.572 . . . . 1.0 109.456 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.444 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -62.93 -44.19 96.75 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.538 -0.541 . . . . 1.0 109.538 -179.824 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.34 -39.41 93.0 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.438 -0.578 . . . . 1.0 109.438 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.7 t -62.34 -42.93 99.79 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.348 0.594 . . . . 1.0 109.481 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 72.5 t60 -66.93 -33.74 76.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.633 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -60.55 -27.87 68.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.919 0.39 . . . . 1.0 111.048 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.8 p -62.73 -24.84 67.89 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.587 -0.696 . . . . 1.0 110.832 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.8 t -63.21 -44.33 99.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 O-C-N 123.531 0.519 . . . . 1.0 112.281 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -65.61 -35.19 80.11 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.862 -0.524 . . . . 1.0 111.97 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 70.5 p 50.64 78.07 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.623 -0.673 . . . . 1.0 111.453 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 165.58 75.62 0.03 OUTLIER Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.79 -0.924 . . . . 1.0 110.79 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 57.2 tt0 -75.95 42.4 0.24 Allowed 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.192 0.52 . . . . 1.0 111.008 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.47 71.89 51.75 Favored Pre-proline 0 N--CA 1.473 0.717 0 O-C-N 122.012 -0.43 . . . . 1.0 110.53 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -52.0 -43.02 55.28 Favored 'Trans proline' 0 N--CA 1.499 1.822 0 C-N-CA 122.705 2.27 . . . . 1.0 113.189 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -139.03 136.38 35.25 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.192 0.52 . . . . 1.0 110.978 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 78.1 ttt-85 -137.98 130.26 29.07 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.191 0.52 . . . . 1.0 109.672 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.411 ' O ' ' N ' ' A' ' 52' ' ' GLY . 20.9 t -80.05 108.77 13.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.215 0.531 . . . . 1.0 110.962 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -64.05 -32.73 74.39 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 116.164 -0.471 . . . . 1.0 111.234 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 28.0 mt -63.04 -47.87 90.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.077 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 36.0 m -105.66 -58.8 1.85 Allowed 'General case' 0 N--CA 1.476 0.825 0 O-C-N 121.983 -0.448 . . . . 1.0 110.524 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 48' ' ' CYS . . . 127.59 10.64 3.56 Favored Glycine 0 N--CA 1.475 1.274 0 N-CA-C 112.141 -0.384 . . . . 1.0 112.141 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.07 138.83 42.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 117.827 0.814 . . . . 1.0 111.417 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -101.23 135.4 42.77 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.113 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -132.42 143.74 50.02 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 122.346 1.07 . . . . 1.0 111.592 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 53.6 p-10 -102.08 -2.01 30.39 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.453 -0.794 . . . . 1.0 110.08 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -135.28 136.11 23.85 Favored Pre-proline 0 N--CA 1.479 0.982 0 O-C-N 121.983 -0.448 . . . . 1.0 111.044 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.27 -23.92 27.94 Favored 'Trans proline' 0 C--N 1.304 -1.814 0 C-N-CA 121.689 1.593 . . . . 1.0 112.008 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.48 -51.4 69.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.035 0.445 . . . . 1.0 110.152 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -63.17 -38.76 92.46 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.944 -0.391 . . . . 1.0 109.944 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.824 ' O ' HG23 ' A' ' 65' ' ' THR . 0.2 OUTLIER -64.02 -42.39 97.14 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.405 -0.591 . . . . 1.0 109.405 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -59.06 -46.55 87.97 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 108.969 -0.752 . . . . 1.0 108.969 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.1 p -66.32 -31.24 71.91 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.541 -0.54 . . . . 1.0 109.541 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -71.19 -39.8 71.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.743 0.782 . . . . 1.0 109.247 179.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.824 HG23 ' O ' ' A' ' 61' ' ' LEU . 50.0 p -62.39 -18.13 60.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.488 0.661 . . . . 1.0 109.554 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 73.4 ttp85 -49.15 -45.64 44.09 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.597 -0.729 . . . . 1.0 110.383 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.1 pt -69.74 -40.71 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-O 121.228 0.537 . . . . 1.0 110.288 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -74.2 -15.81 60.99 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.958 -0.464 . . . . 1.0 110.323 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 65' ' ' THR . 12.6 t -57.13 90.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.226 0.536 . . . . 1.0 110.196 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -90.83 99.71 2.6 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.984 -0.846 . . . . 1.0 110.984 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -167.74 1.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.0 0.429 . . . . 1.0 110.528 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -165.98 72.8 1.26 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.032 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.7 -37.47 83.98 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.732 2.288 . . . . 1.0 112.7 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 64.6 t80 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.894 -1.05 . . . . 1.0 110.085 -179.323 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 80.0 mtp . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 109.269 -0.641 . . . . 1.0 109.269 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.5 m -62.71 129.25 39.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.833 0.349 . . . . 1.0 110.411 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 46.6 p-80 -74.5 -40.47 61.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.959 0.409 . . . . 1.0 111.053 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 97.3 p -72.69 110.16 6.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.639 0.733 . . . . 1.0 111.227 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -81.6 36.85 0.45 Allowed 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.865 -0.522 . . . . 1.0 110.767 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -130.2 69.86 82.05 Favored Pre-proline 0 N--CA 1.47 0.544 0 C-N-CA 123.45 0.7 . . . . 1.0 109.827 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.49 -12.6 20.57 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 121.962 1.775 . . . . 1.0 112.203 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.54 ' O ' ' O ' ' A' ' 27' ' ' PHE . 93.1 m-85 -103.91 101.67 11.46 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.11 0.481 . . . . 1.0 111.022 -179.477 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.8 pttt -141.26 151.35 43.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.359 0.6 . . . . 1.0 110.031 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.1 t -78.67 108.71 12.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.172 0.51 . . . . 1.0 111.463 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -63.65 -33.41 75.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.331 0.586 . . . . 1.0 109.93 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -67.47 -14.78 63.23 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.703 -0.623 . . . . 1.0 110.341 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 60.2 m -137.82 -168.26 2.3 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.379 0.609 . . . . 1.0 110.067 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -100.57 -26.75 13.72 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.822 -0.549 . . . . 1.0 111.481 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.18 157.11 0.09 Allowed 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.517 0.675 . . . . 1.0 111.678 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.8 t -137.26 147.23 45.59 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.944 -0.472 . . . . 1.0 110.774 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.54 ' O ' ' O ' ' A' ' 18' ' ' TYR . 97.7 m-85 -140.34 154.95 46.93 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 121.417 0.627 . . . . 1.0 111.776 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -96.4 -22.41 17.18 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.923 -0.58 . . . . 1.0 111.13 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.43 ' N ' ' CD1' ' A' ' 29' ' ' TYR . 39.1 m-85 -111.15 141.95 43.98 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 121.292 0.568 . . . . 1.0 111.073 -179.03 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -64.99 -38.3 90.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.961 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.44 -38.45 96.32 Favored Glycine 0 CA--C 1.52 0.394 0 N-CA-C 110.482 -1.047 . . . . 1.0 110.482 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -63.23 -38.93 93.11 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.507 -0.553 . . . . 1.0 109.507 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.456 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -62.28 -45.09 94.81 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.272 -0.64 . . . . 1.0 109.272 -179.833 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.82 -36.7 82.97 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.235 -0.654 . . . . 1.0 109.235 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.8 t -62.9 -41.72 99.53 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.413 -0.588 . . . . 1.0 109.413 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -59.39 -39.89 84.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.542 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -59.36 -35.48 73.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.801 0.334 . . . . 1.0 111.124 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 34.5 p -50.92 -26.96 6.57 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.492 -0.755 . . . . 1.0 111.047 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.8 t -67.69 -44.46 85.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 112.473 0.546 . . . . 1.0 112.473 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 35.3 p80 -125.37 38.95 4.07 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 122.999 0.52 . . . . 1.0 112.219 -178.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 81.5 p -37.13 -47.12 0.74 Allowed 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.635 -0.665 . . . . 1.0 111.968 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -178.67 65.73 0.08 OUTLIER Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.603 -0.999 . . . . 1.0 110.603 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -69.17 -36.56 77.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.691 0.281 . . . . 1.0 111.037 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 66.3 mttm 56.22 71.92 1.1 Allowed Pre-proline 0 C--N 1.33 -0.279 0 O-C-N 121.929 -0.482 . . . . 1.0 110.323 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -50.18 -55.97 3.58 Favored 'Trans proline' 0 N--CA 1.499 1.835 0 C-N-CA 122.658 2.238 . . . . 1.0 113.243 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -145.11 141.45 28.81 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.272 0.558 . . . . 1.0 110.891 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 62.4 ttm-85 -139.5 135.23 33.28 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.148 -0.478 . . . . 1.0 109.857 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 52' ' ' GLY . 18.3 t -78.38 109.27 12.39 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.604 0.716 . . . . 1.0 111.078 -179.613 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -60.25 -38.18 82.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.773 -0.648 . . . . 1.0 110.861 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 17.9 mt -62.11 -45.38 98.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.149 0.5 . . . . 1.0 111.067 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 73.5 m -103.34 -66.44 0.94 Allowed 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.958 -0.464 . . . . 1.0 110.65 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 48' ' ' CYS . . . 121.31 31.67 1.14 Allowed Glycine 0 N--CA 1.474 1.167 0 N-CA-C 111.976 -0.45 . . . . 1.0 111.976 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.34 152.93 19.51 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 117.803 0.802 . . . . 1.0 111.308 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -94.23 140.77 29.35 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.173 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -133.26 149.03 51.98 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 122.138 0.97 . . . . 1.0 111.737 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -108.45 -6.1 16.31 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 115.632 -0.713 . . . . 1.0 110.306 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 -145.13 143.29 19.98 Favored Pre-proline 0 N--CA 1.477 0.889 0 CA-C-O 119.19 -0.433 . . . . 1.0 110.861 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -70.15 -23.73 28.7 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 121.779 1.653 . . . . 1.0 111.932 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.92 -30.18 71.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.165 0.507 . . . . 1.0 110.191 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -66.69 -33.27 75.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.22 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.517 HD22 ' N ' ' A' ' 61' ' ' LEU . 3.3 mm? -63.41 -41.05 98.71 Favored 'General case' 0 CA--C 1.51 -0.593 0 N-CA-C 109.275 -0.639 . . . . 1.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -60.29 -42.98 96.6 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-O 121.896 0.855 . . . . 1.0 109.274 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 19.3 m -70.83 -43.72 67.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.375 -0.83 . . . . 1.0 110.104 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -64.14 -45.56 87.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.464 -0.789 . . . . 1.0 109.601 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.509 ' O ' ' N ' ' A' ' 69' ' ' SER . 2.0 p -52.06 -42.02 62.81 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 119.976 -0.69 . . . . 1.0 109.684 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 62.9 ttt-85 -40.62 -29.78 0.1 Allowed 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.159 0.504 . . . . 1.0 110.854 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 77.3 mt -66.83 -44.78 88.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.234 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.443 ' N ' ' O ' ' A' ' 65' ' ' THR . 6.1 p80 -124.77 30.22 6.0 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 121.961 -0.462 . . . . 1.0 110.612 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 65' ' ' THR . 10.8 t -59.88 -43.08 94.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.002 0.429 . . . . 1.0 110.507 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -165.28 -31.37 0.02 OUTLIER Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.721 -0.952 . . . . 1.0 110.721 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -65.06 135.89 56.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.239 0.542 . . . . 1.0 110.556 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.3 pttm -72.87 149.87 90.32 Favored Pre-proline 0 CA--C 1.543 0.682 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.624 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -65.92 149.45 86.36 Favored 'Trans proline' 0 N--CA 1.502 1.976 0 C-N-CA 121.95 1.766 . . . . 1.0 112.731 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.402 ' CD2' ' OXT' ' A' ' 74' ' ' TYR . 69.2 t80 . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 118.136 -0.935 . . . . 1.0 110.821 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 108.977 -0.749 . . . . 1.0 108.977 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.0 t -77.49 160.93 28.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.445 -0.343 . . . . 1.0 110.097 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -68.71 146.25 53.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.603 0.716 . . . . 1.0 110.514 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 62.0 m -138.94 150.69 46.19 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.455 0.645 . . . . 1.0 110.941 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -74.48 -5.25 41.52 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.907 -0.495 . . . . 1.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -112.56 83.01 5.17 Favored Pre-proline 0 N--CA 1.474 0.746 0 C-N-CA 123.241 0.616 . . . . 1.0 109.82 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -75.69 -10.69 20.18 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 121.746 1.63 . . . . 1.0 111.988 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.487 ' O ' ' O ' ' A' ' 27' ' ' PHE . 86.7 m-85 -112.11 102.48 10.68 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 121.548 0.69 . . . . 1.0 111.168 -179.412 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -140.94 152.53 45.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.573 0.701 . . . . 1.0 109.729 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.6 t -78.78 108.23 12.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.113 0.483 . . . . 1.0 111.403 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -64.35 -34.01 77.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.456 0.646 . . . . 1.0 109.913 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 85.5 mtt85 -66.36 -19.24 65.75 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.685 -0.634 . . . . 1.0 110.328 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 78.2 m -131.5 -170.91 2.47 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.305 0.574 . . . . 1.0 110.14 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -99.42 -25.27 14.52 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.806 -0.559 . . . . 1.0 111.512 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.1 172.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.34 0.59 . . . . 1.0 111.655 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.8 p -151.48 156.25 40.2 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 121.972 -0.455 . . . . 1.0 110.649 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.487 ' O ' ' O ' ' A' ' 18' ' ' TYR . 97.7 m-85 -148.96 152.72 36.84 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.449 0.642 . . . . 1.0 111.677 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -93.95 -18.75 21.59 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.769 -0.65 . . . . 1.0 111.207 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' A' ' 29' ' ' TYR . 39.4 m-85 -114.97 141.06 48.49 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 121.227 0.537 . . . . 1.0 111.235 -179.195 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -64.83 -38.05 89.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.946 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.78 -37.12 94.22 Favored Glycine 0 CA--C 1.518 0.25 0 N-CA-C 110.318 -1.113 . . . . 1.0 110.318 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -63.04 -38.95 93.23 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.191 -0.67 . . . . 1.0 109.191 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.464 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -62.15 -42.9 99.7 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.569 -0.53 . . . . 1.0 109.569 -179.818 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.87 -38.98 90.24 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 109.296 -0.631 . . . . 1.0 109.296 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.8 p -60.44 -36.95 79.43 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.539 -0.541 . . . . 1.0 109.539 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -68.35 -36.06 78.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.688 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -62.34 -28.87 70.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.938 0.399 . . . . 1.0 111.036 -179.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 48.7 p -61.45 -29.85 70.21 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 121.558 -0.714 . . . . 1.0 110.744 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.5 t -61.42 -45.57 98.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 O-C-N 123.588 0.555 . . . . 1.0 112.285 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 35.0 p80 -126.73 33.44 4.96 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 121.897 -0.502 . . . . 1.0 112.074 -178.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 t -56.53 -39.15 72.89 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 121.616 -0.678 . . . . 1.0 111.144 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 168.37 -56.59 0.21 Allowed Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.689 -0.964 . . . . 1.0 110.689 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.534 ' CD ' ' H ' ' A' ' 43' ' ' GLU . 32.7 mp0 -61.57 129.67 42.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.338 0.589 . . . . 1.0 110.548 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.511 ' O ' ' N ' ' A' ' 46' ' ' TYR . 31.0 ttmt -167.23 62.48 0.64 Allowed Pre-proline 0 CA--C 1.541 0.614 0 O-C-N 121.927 -0.483 . . . . 1.0 110.796 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -38.42 84.87 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 123.046 2.497 . . . . 1.0 113.15 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.511 ' N ' ' O ' ' A' ' 44' ' ' LYS . 85.2 m-85 -53.35 157.22 2.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.416 0.627 . . . . 1.0 111.249 -179.655 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 60.6 ttm-85 -138.24 132.04 31.13 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.308 0.575 . . . . 1.0 109.88 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.5 t -79.33 108.75 13.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.551 0.691 . . . . 1.0 111.258 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -62.95 -38.49 91.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.833 -0.621 . . . . 1.0 110.843 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.433 ' H ' HD12 ' A' ' 50' ' ' ILE . 3.1 mp -64.78 -45.0 96.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.001 0.429 . . . . 1.0 111.44 -179.401 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 81.1 m -102.86 -72.13 0.7 Allowed 'General case' 0 N--CA 1.469 0.481 0 O-C-N 122.009 -0.432 . . . . 1.0 110.34 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 140.06 2.22 1.65 Allowed Glycine 0 N--CA 1.47 0.904 0 N-CA-C 112.122 -0.391 . . . . 1.0 112.122 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.4 147.5 47.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.721 0.772 . . . . 1.0 111.497 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -101.31 136.06 41.78 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.782 -0.645 . . . . 1.0 109.923 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -129.7 134.2 47.51 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-O 121.913 0.863 . . . . 1.0 111.6 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -98.7 6.55 46.89 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.468 0.651 . . . . 1.0 109.948 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -137.67 132.76 17.59 Favored Pre-proline 0 CA--C 1.544 0.737 0 O-C-N 122.011 -0.431 . . . . 1.0 111.072 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -70.44 -30.19 19.49 Favored 'Trans proline' 0 N--CA 1.499 1.815 0 C-N-CA 121.822 1.681 . . . . 1.0 112.102 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.25 -41.61 98.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.484 -0.325 . . . . 1.0 110.177 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -64.49 -40.25 95.31 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.745 -0.465 . . . . 1.0 109.745 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.832 ' O ' HG23 ' A' ' 65' ' ' THR . 0.2 OUTLIER -63.53 -42.0 98.46 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.315 -0.624 . . . . 1.0 109.315 -179.806 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -59.31 -47.77 84.14 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.006 -0.739 . . . . 1.0 109.006 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.0 m -64.03 -33.41 75.67 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 116.046 -0.525 . . . . 1.0 109.745 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -69.63 -40.72 76.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.779 0.8 . . . . 1.0 109.337 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.832 HG23 ' O ' ' A' ' 61' ' ' LEU . 51.9 p -61.67 -17.96 57.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.352 0.596 . . . . 1.0 109.752 179.684 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -52.6 -42.37 64.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.7 -0.682 . . . . 1.0 110.323 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.423 ' C ' ' H ' ' A' ' 69' ' ' SER . 2.7 pt -68.15 -40.19 82.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.166 0.508 . . . . 1.0 110.381 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 31.1 m-70 -73.24 9.08 1.37 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.271 0.557 . . . . 1.0 110.252 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.423 ' H ' ' C ' ' A' ' 67' ' ' ILE . 30.4 t -142.13 141.39 32.66 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.473 0.654 . . . . 1.0 110.318 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 49.97 76.05 0.18 Allowed Glycine 0 CA--C 1.528 0.873 0 N-CA-C 111.349 -0.701 . . . . 1.0 111.349 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.445 ' OE1' ' N ' ' A' ' 71' ' ' GLU . 55.8 mp0 -78.17 100.93 6.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.037 0.446 . . . . 1.0 110.593 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.9 mttm 53.61 73.15 0.97 Allowed Pre-proline 0 CA--C 1.534 0.34 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.302 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -58.29 145.34 93.76 Favored 'Trans proline' 0 N--CA 1.499 1.847 0 C-N-CA 122.778 2.319 . . . . 1.0 112.505 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.406 ' OXT' ' CD2' ' A' ' 74' ' ' TYR . 65.1 t80 . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.905 -1.045 . . . . 1.0 110.376 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 39.2 tpp . . . . . 0 N--CA 1.492 1.651 0 N-CA-C 109.281 -0.637 . . . . 1.0 109.281 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 54.1 p -66.24 -37.24 85.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.827 0.346 . . . . 1.0 110.904 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 61.6 t-80 -73.04 127.14 31.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.42 0.629 . . . . 1.0 110.743 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.9 p -163.57 130.61 3.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.42 0.629 . . . . 1.0 110.786 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -73.9 -5.31 40.33 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.91 -0.494 . . . . 1.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -128.99 73.69 81.6 Favored Pre-proline 0 N--CA 1.473 0.688 0 C-N-CA 123.55 0.74 . . . . 1.0 109.994 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -79.65 1.45 9.2 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.148 1.899 . . . . 1.0 112.119 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.413 ' O ' ' O ' ' A' ' 27' ' ' PHE . 78.9 m-85 -136.79 79.95 1.79 Allowed 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 121.323 0.582 . . . . 1.0 110.681 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.496 ' HD2' ' H ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -120.56 137.02 54.62 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 122.039 0.923 . . . . 1.0 109.686 -179.863 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.529 ' N ' HD21 ' A' ' 33' ' ' LEU . 23.0 t -64.92 102.54 0.61 Allowed 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.969 -178.558 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -68.86 -21.1 64.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.565 0.698 . . . . 1.0 109.8 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -67.77 -38.21 83.12 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 121.775 -0.578 . . . . 1.0 110.488 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 75.6 m -115.84 -164.95 0.99 Allowed 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.475 0.655 . . . . 1.0 109.953 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -96.25 -23.66 16.59 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 121.78 -0.575 . . . . 1.0 111.375 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.88 175.0 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.705 0.764 . . . . 1.0 111.481 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.417 ' O ' ' CG ' ' A' ' 27' ' ' PHE . 24.3 t -155.45 156.65 35.66 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 121.868 -0.52 . . . . 1.0 110.791 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.417 ' CG ' ' O ' ' A' ' 26' ' ' SER . 99.7 m-85 -155.03 154.09 31.95 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.426 0.631 . . . . 1.0 111.702 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -96.01 -18.1 20.48 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.896 -0.593 . . . . 1.0 111.413 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -109.62 137.67 47.1 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.166 0.508 . . . . 1.0 111.037 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -68.28 -35.83 78.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.327 -0.397 . . . . 1.0 111.195 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.16 -36.96 93.9 Favored Glycine 0 CA--C 1.519 0.32 0 N-CA-C 110.364 -1.094 . . . . 1.0 110.364 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.414 ' ND2' ' CD1' ' A' ' 27' ' ' PHE . 42.5 t-20 -63.17 -36.55 84.01 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.33 -0.619 . . . . 1.0 109.33 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.529 HD21 ' N ' ' A' ' 20' ' ' CYS . 0.2 OUTLIER -63.59 -39.83 95.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.04 -0.527 . . . . 1.0 109.662 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.51 -38.38 89.69 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 109.187 -0.672 . . . . 1.0 109.187 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.8 t -63.59 -43.19 97.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.195 0.521 . . . . 1.0 109.614 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -74.7 -34.23 62.58 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.772 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -64.84 -31.71 73.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.041 0.448 . . . . 1.0 111.231 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.8 p -67.82 -21.91 65.18 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.605 -0.684 . . . . 1.0 110.772 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 51.6 t -62.99 -43.63 99.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 122.982 0.513 . . . . 1.0 112.022 -179.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -125.22 31.61 5.55 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 121.911 -0.493 . . . . 1.0 112.04 -178.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.0 t -69.28 142.6 54.08 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.638 -0.664 . . . . 1.0 111.073 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -168.63 99.68 0.15 Allowed Glycine 0 CA--C 1.527 0.832 0 N-CA-C 110.805 -0.918 . . . . 1.0 110.805 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.446 ' H ' ' CD ' ' A' ' 43' ' ' GLU . 34.5 mp0 -68.92 -38.18 79.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.015 0.436 . . . . 1.0 111.254 -179.641 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.456 ' N ' ' CD ' ' A' ' 45' ' ' PRO . 20.5 pttp -169.97 51.06 0.17 Allowed Pre-proline 0 CA--C 1.534 0.357 0 O-C-N 121.875 -0.515 . . . . 1.0 110.669 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.456 ' CD ' ' N ' ' A' ' 44' ' ' LYS . 67.4 Cg_endo -65.5 -157.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 123.365 2.71 . . . . 1.0 111.913 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -144.32 147.68 33.8 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 115.895 -0.593 . . . . 1.0 111.105 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 49.1 ptt85 -134.84 147.02 49.81 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.284 0.564 . . . . 1.0 110.004 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.453 ' SG ' ' HB3' ' A' ' 53' ' ' ALA . 0.5 OUTLIER -78.91 140.76 38.02 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 121.187 0.518 . . . . 1.0 111.118 -179.133 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -75.2 -9.71 58.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.953 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 75.4 mt -85.08 -66.06 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-O 120.907 0.384 . . . . 1.0 111.12 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.518 ' SG ' ' N ' ' A' ' 52' ' ' GLY . 28.9 p -94.74 -53.0 4.03 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 122.015 -0.428 . . . . 1.0 110.67 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.518 ' N ' ' SG ' ' A' ' 51' ' ' CYS . . . 120.75 20.73 3.41 Favored Glycine 0 N--CA 1.474 1.195 0 N-CA-C 111.992 -0.443 . . . . 1.0 111.992 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.453 ' HB3' ' SG ' ' A' ' 48' ' ' CYS . . . -51.62 -177.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 117.864 0.832 . . . . 1.0 111.439 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -146.01 138.51 25.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.012 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -149.62 137.74 20.5 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.843 0.83 . . . . 1.0 111.74 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -94.72 3.65 54.78 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.579 0.704 . . . . 1.0 110.051 179.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -143.07 142.37 21.66 Favored Pre-proline 0 N--CA 1.473 0.698 0 O-C-N 122.009 -0.432 . . . . 1.0 110.704 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.83 -31.99 14.84 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 121.706 1.604 . . . . 1.0 112.145 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.51 -47.36 84.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.349 . . . . 1.0 110.167 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 60.5 t-20 -64.06 -34.03 77.11 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.803 -0.443 . . . . 1.0 109.803 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.623 ' O ' HG23 ' A' ' 65' ' ' THR . 1.1 tt -61.94 -45.84 91.93 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.014 -0.736 . . . . 1.0 109.014 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.403 ' O ' ' OG1' ' A' ' 65' ' ' THR . 38.8 ttpt -61.5 -40.86 96.12 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.222 -0.659 . . . . 1.0 109.222 179.361 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 25.1 m -67.03 -26.08 66.6 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.878 -0.601 . . . . 1.0 109.719 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.416 ' NE2' HD11 ' A' ' 67' ' ' ILE . 28.2 t60 -82.97 -41.76 18.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.648 0.737 . . . . 1.0 109.281 179.075 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 61' ' ' LEU . 54.6 p -52.02 -18.17 1.3 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.382 0.61 . . . . 1.0 109.653 179.664 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.401 ' N ' ' C ' ' A' ' 64' ' ' HIS . 96.9 mtt180 -52.3 -41.59 63.04 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.645 -0.707 . . . . 1.0 110.189 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.416 HD11 ' NE2' ' A' ' 64' ' ' HIS . 4.7 pt -65.72 -39.71 85.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.128 0.49 . . . . 1.0 110.189 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -72.17 -24.22 61.4 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 121.989 -0.445 . . . . 1.0 110.165 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.7 t 55.66 64.44 1.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.187 0.517 . . . . 1.0 110.554 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.78 -36.55 93.46 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.0 -0.84 . . . . 1.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -58.57 111.53 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.174 0.511 . . . . 1.0 110.293 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.7 mmtp -69.56 148.01 96.82 Favored Pre-proline 0 CA--C 1.54 0.569 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.772 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -65.96 -21.39 56.96 Favored 'Trans proline' 0 N--CA 1.497 1.7 0 C-N-CA 122.192 1.928 . . . . 1.0 112.607 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 72.1 t80 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.911 -1.042 . . . . 1.0 110.204 -179.62 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 71.8 mmm . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.093 -0.706 . . . . 1.0 109.093 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.431 ' O ' ' CG ' ' A' ' 13' ' ' HIS . 60.2 p -74.9 138.84 42.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.538 -0.301 . . . . 1.0 110.194 179.692 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.431 ' CG ' ' O ' ' A' ' 12' ' ' THR . 72.6 m80 -153.55 -127.9 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.688 0.28 . . . . 1.0 110.657 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.417 ' C ' ' H ' ' A' ' 16' ' ' LYS . 13.7 t 57.21 153.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.601 0.715 . . . . 1.0 111.046 -179.509 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -76.32 35.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 O-C-N 121.883 -0.51 . . . . 1.0 110.876 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.417 ' H ' ' C ' ' A' ' 14' ' ' SER . 94.0 mttt -132.64 60.86 53.2 Favored Pre-proline 0 N--CA 1.468 0.453 0 C-N-CA 123.353 0.661 . . . . 1.0 109.89 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -73.72 -14.0 24.45 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.165 1.91 . . . . 1.0 112.196 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.514 ' O ' ' O ' ' A' ' 27' ' ' PHE . 79.3 m-85 -105.71 109.63 21.65 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.009 0.433 . . . . 1.0 110.925 -179.408 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -142.23 152.59 43.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.152 0.501 . . . . 1.0 110.089 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.1 t -75.46 110.41 9.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.309 0.576 . . . . 1.0 111.253 -179.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 22' ' ' ARG . 47.2 p-10 -61.36 -32.65 72.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.56 0.695 . . . . 1.0 110.041 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.488 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 0.5 OUTLIER -67.79 -44.63 76.95 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.711 -0.618 . . . . 1.0 110.221 179.811 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 58.7 m -108.81 -141.63 0.38 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.982 0.42 . . . . 1.0 110.482 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -133.53 -21.83 1.97 Allowed 'General case' 0 N--CA 1.47 0.573 0 O-C-N 121.74 -0.6 . . . . 1.0 111.435 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.51 98.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.549 0.69 . . . . 1.0 111.787 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.3 m -73.39 141.35 46.99 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.887 -0.508 . . . . 1.0 110.957 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.514 ' O ' ' O ' ' A' ' 18' ' ' TYR . 70.3 m-85 -128.55 147.17 50.68 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-O 121.431 0.634 . . . . 1.0 111.92 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -96.26 -0.93 49.07 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.615 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -130.16 137.49 50.14 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.112 0.482 . . . . 1.0 111.099 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -67.74 -33.21 74.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.35 -0.386 . . . . 1.0 111.101 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -66.76 -36.51 91.31 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.134 -1.186 . . . . 1.0 110.134 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.409 ' OD1' ' CD1' ' A' ' 27' ' ' PHE . 25.4 t-20 -64.51 -40.54 95.83 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.558 -0.534 . . . . 1.0 109.558 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 33' ' ' LEU . 0.6 OUTLIER -63.7 -44.5 93.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.461 0.648 . . . . 1.0 109.497 -179.666 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.37 -39.28 93.56 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.37 -0.604 . . . . 1.0 109.37 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.7 t -61.45 -43.26 99.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.371 0.605 . . . . 1.0 109.483 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -65.88 -35.01 79.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.812 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -61.12 -32.11 71.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.024 0.44 . . . . 1.0 110.978 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 71.9 p -51.53 -31.85 25.67 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.551 -0.718 . . . . 1.0 110.995 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.9 t -62.06 -45.62 98.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.055 -0.521 . . . . 1.0 112.193 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -66.21 -34.45 78.05 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.85 -0.531 . . . . 1.0 112.069 -178.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.7 m -56.84 129.29 40.77 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 121.702 -0.624 . . . . 1.0 111.125 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 43' ' ' GLU . . . 167.18 -103.36 0.2 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.773 -0.931 . . . . 1.0 110.773 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 42' ' ' GLY . 97.8 mt-10 53.57 107.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.333 0.587 . . . . 1.0 110.843 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -159.14 71.73 3.49 Favored Pre-proline 0 N--CA 1.467 0.409 0 CA-C-O 121.195 0.522 . . . . 1.0 110.382 179.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -52.64 -45.32 41.05 Favored 'Trans proline' 0 N--CA 1.498 1.779 0 C-N-CA 122.696 2.264 . . . . 1.0 113.307 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -141.02 149.19 41.41 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.381 0.61 . . . . 1.0 111.027 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 60.9 ttm-85 -139.64 136.86 34.76 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.243 0.544 . . . . 1.0 109.677 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.2 t -76.4 114.03 14.65 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.783 0.801 . . . . 1.0 110.884 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -63.63 -35.6 81.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.552 -0.749 . . . . 1.0 110.956 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 26.7 mt -62.48 -43.81 98.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.911 0.386 . . . . 1.0 111.032 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 23.8 m -113.83 -70.53 0.8 Allowed 'General case' 0 N--CA 1.474 0.731 0 O-C-N 122.06 -0.4 . . . . 1.0 110.681 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 140.62 12.27 0.59 Allowed Glycine 0 CA--C 1.531 1.076 0 N-CA-C 112.034 -0.426 . . . . 1.0 112.034 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.09 139.78 54.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 117.882 0.841 . . . . 1.0 111.581 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -92.94 142.95 26.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.126 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -132.28 138.29 47.8 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 121.984 0.897 . . . . 1.0 111.818 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -90.23 -13.49 35.32 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.587 0.708 . . . . 1.0 110.29 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 62.9 mtt85 -143.69 146.06 33.57 Favored Pre-proline 0 N--CA 1.475 0.793 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.657 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -68.55 -27.94 32.35 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 121.654 1.569 . . . . 1.0 111.917 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.25 -40.2 93.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 1.0 110.141 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -63.98 -38.21 90.23 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.902 -0.407 . . . . 1.0 109.902 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.21 -42.98 99.79 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.048 -0.723 . . . . 1.0 109.048 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.6 ttmm -54.11 -39.55 66.5 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.091 -0.707 . . . . 1.0 109.091 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.6 m -66.24 -35.28 80.0 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.832 -0.622 . . . . 1.0 109.646 179.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -73.63 -42.87 60.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.582 0.706 . . . . 1.0 109.732 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.3 p -55.77 -33.89 64.76 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.499 -0.556 . . . . 1.0 109.499 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 60.7 ttt85 -58.03 -34.09 69.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.172 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 66.7 mt -63.2 -41.96 94.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.939 0.399 . . . . 1.0 110.146 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -66.84 -37.56 84.71 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 122.0 -0.438 . . . . 1.0 110.282 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.0 t -63.78 151.24 42.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.075 0.464 . . . . 1.0 110.327 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.22 -35.45 92.09 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 111.046 -0.821 . . . . 1.0 111.046 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 59.32 159.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.417 0.627 . . . . 1.0 110.208 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.4 tttm -126.15 72.52 71.19 Favored Pre-proline 0 N--CA 1.472 0.634 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.288 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -74.58 154.86 44.92 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.016 1.811 . . . . 1.0 112.728 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 65.0 t80 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.932 -1.032 . . . . 1.0 110.769 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 16.5 ptt? . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 109.389 -0.597 . . . . 1.0 109.389 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 73.7 p -69.95 139.76 52.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.025 0.441 . . . . 1.0 110.096 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -66.37 -36.58 83.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.33 0.586 . . . . 1.0 110.948 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.9 t -143.84 150.8 39.03 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 121.483 0.658 . . . . 1.0 110.962 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -60.65 -8.65 3.05 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.875 -0.516 . . . . 1.0 111.039 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -113.55 81.61 5.58 Favored Pre-proline 0 N--CA 1.473 0.724 0 C-N-CA 123.169 0.588 . . . . 1.0 109.64 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -75.09 -14.12 21.04 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 121.809 1.673 . . . . 1.0 111.937 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.505 ' O ' ' O ' ' A' ' 27' ' ' PHE . 81.2 m-85 -114.09 103.28 10.97 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 121.574 0.702 . . . . 1.0 111.234 -179.361 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -141.02 152.08 44.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.516 0.674 . . . . 1.0 109.849 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.4 t -80.83 106.58 12.94 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.987 -0.446 . . . . 1.0 111.3 -179.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -63.31 -27.57 69.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.532 0.682 . . . . 1.0 109.967 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -69.08 -17.96 63.93 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 121.739 -0.601 . . . . 1.0 110.586 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 34.3 m -136.86 -172.99 3.31 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.334 0.587 . . . . 1.0 110.07 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -96.7 -15.99 21.14 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.815 -0.553 . . . . 1.0 111.758 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.13 150.65 20.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.707 0.765 . . . . 1.0 111.536 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.8 m -131.97 152.35 51.17 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.832 -0.543 . . . . 1.0 110.882 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.505 ' O ' ' O ' ' A' ' 18' ' ' TYR . 97.4 m-85 -143.83 150.71 38.91 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 121.363 0.601 . . . . 1.0 111.716 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.451 ' NH2' ' CE2' ' A' ' 29' ' ' TYR . 63.2 ttp85 -91.2 -17.44 26.04 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.929 -0.578 . . . . 1.0 111.042 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.451 ' CE2' ' NH2' ' A' ' 28' ' ' ARG . 17.5 m-85 -112.8 146.85 38.1 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-O 121.386 0.612 . . . . 1.0 111.242 -179.077 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -72.11 -35.12 69.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.293 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.71 -35.86 86.43 Favored Glycine 0 CA--C 1.518 0.278 0 N-CA-C 110.361 -1.095 . . . . 1.0 110.361 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -62.83 -38.98 92.91 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.17 -0.678 . . . . 1.0 109.17 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.459 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -60.88 -44.4 97.13 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.496 -0.557 . . . . 1.0 109.496 -179.65 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.05 -37.04 80.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.31 0.576 . . . . 1.0 109.53 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.4 t -60.73 -41.08 94.59 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.43 -0.581 . . . . 1.0 109.43 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.438 ' O ' HG12 ' A' ' 39' ' ' VAL . 39.0 t60 -66.71 -41.54 87.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.574 179.481 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -55.33 -21.58 15.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.053 0.454 . . . . 1.0 111.151 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 71.7 p -57.31 -32.41 66.65 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.586 -0.696 . . . . 1.0 110.769 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.458 HG13 ' N ' ' A' ' 40' ' ' HIS . 4.5 p -60.6 -44.84 97.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 112.426 0.528 . . . . 1.0 112.426 -178.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.458 ' N ' HG13 ' A' ' 39' ' ' VAL . 13.5 p80 -127.69 31.68 5.11 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 121.896 -0.502 . . . . 1.0 112.059 -178.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.6 t -59.44 -43.42 93.12 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 121.721 -0.612 . . . . 1.0 111.287 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 157.32 67.41 0.01 OUTLIER Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.57 -1.012 . . . . 1.0 110.57 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.467 ' OE1' ' N ' ' A' ' 43' ' ' GLU . 57.4 mp0 -79.38 -12.91 59.9 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.161 0.505 . . . . 1.0 111.345 -179.634 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -166.83 131.26 1.62 Allowed Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 120.408 -0.517 . . . . 1.0 110.779 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -75.86 -97.52 0.01 OUTLIER 'Trans proline' 0 N--CA 1.504 2.122 0 C-N-CA 121.8 1.667 . . . . 1.0 113.141 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -138.7 152.45 48.02 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 121.424 0.631 . . . . 1.0 110.709 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -138.93 138.92 37.79 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.004 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.4 t -75.7 118.37 18.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.553 0.692 . . . . 1.0 110.988 -179.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -70.03 -26.57 64.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.827 -0.624 . . . . 1.0 111.015 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.652 HD12 ' N ' ' A' ' 50' ' ' ILE . 1.9 mp -62.76 -43.91 99.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.104 -178.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 52' ' ' GLY . 11.9 p -123.17 -61.86 1.38 Allowed 'General case' 0 N--CA 1.473 0.703 0 O-C-N 122.086 -0.383 . . . . 1.0 110.5 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.45 ' N ' ' SG ' ' A' ' 51' ' ' CYS . . . 144.38 6.54 0.53 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.99 -0.444 . . . . 1.0 111.99 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.83 137.99 58.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 117.76 0.78 . . . . 1.0 111.572 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -100.01 141.81 32.33 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.794 -0.639 . . . . 1.0 110.267 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -132.21 146.33 51.94 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 121.858 0.837 . . . . 1.0 111.78 -179.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -92.77 -9.68 39.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.366 0.603 . . . . 1.0 109.886 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 -144.33 144.66 26.39 Favored Pre-proline 0 CA--C 1.542 0.666 0 O-C-N 122.083 -0.385 . . . . 1.0 110.885 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.91 -28.85 35.41 Favored 'Trans proline' 0 N--CA 1.5 1.871 0 C-N-CA 121.846 1.697 . . . . 1.0 111.972 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.96 -45.47 86.65 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.022 -0.362 . . . . 1.0 110.022 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -63.85 -35.54 80.96 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.916 -0.402 . . . . 1.0 109.916 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.771 ' O ' HG23 ' A' ' 65' ' ' THR . 0.9 OUTLIER -62.65 -45.21 93.87 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.256 -0.646 . . . . 1.0 109.256 -179.703 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -61.6 -41.35 97.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.566 0.698 . . . . 1.0 109.418 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 97.9 m -68.09 -27.15 66.23 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.684 -0.689 . . . . 1.0 109.79 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -81.5 -38.53 26.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.628 0.728 . . . . 1.0 109.431 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.771 HG23 ' O ' ' A' ' 61' ' ' LEU . 77.4 p -58.1 -30.43 66.26 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.429 -0.582 . . . . 1.0 109.429 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -58.61 -36.42 74.01 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.261 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.596 ' C ' ' H ' ' A' ' 69' ' ' SER . 63.0 mt -61.87 -42.17 93.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.804 -0.443 . . . . 1.0 109.804 -179.438 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 -66.75 24.85 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 121.088 0.47 . . . . 1.0 110.608 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.596 ' H ' ' C ' ' A' ' 67' ' ' ILE . 11.1 t -59.58 -44.91 93.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.361 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 77.97 -101.93 1.74 Allowed Glycine 0 CA--C 1.523 0.531 0 N-CA-C 111.261 -0.735 . . . . 1.0 111.261 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -61.68 125.83 25.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.201 0.524 . . . . 1.0 110.518 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.404 ' N ' ' CD ' ' A' ' 73' ' ' PRO . 78.0 tttt -169.96 54.54 0.23 Allowed Pre-proline 0 CA--C 1.533 0.313 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.036 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.404 ' CD ' ' N ' ' A' ' 72' ' ' LYS . 38.0 Cg_endo -65.18 -17.56 58.96 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.573 2.182 . . . . 1.0 112.22 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.069 -0.967 . . . . 1.0 110.561 -179.997 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 N--CA 1.488 1.46 0 N-CA-C 109.008 -0.738 . . . . 1.0 109.008 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.0 p -79.04 164.91 23.96 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 110.213 -0.291 . . . . 1.0 110.213 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 86.8 t60 48.25 85.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.454 0.645 . . . . 1.0 110.945 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 94.2 p -165.09 14.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 O-C-N 122.015 -0.428 . . . . 1.0 111.596 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 44.2 p-10 -83.48 12.48 5.55 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 121.879 -0.513 . . . . 1.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -130.91 62.96 68.47 Favored Pre-proline 0 N--CA 1.471 0.599 0 C-N-CA 123.436 0.695 . . . . 1.0 109.855 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -73.73 -17.94 22.58 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.05 1.833 . . . . 1.0 112.31 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.539 ' O ' ' O ' ' A' ' 27' ' ' PHE . 95.7 m-85 -96.09 107.4 19.71 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 121.297 0.57 . . . . 1.0 110.759 -179.235 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -140.48 152.04 45.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.448 0.642 . . . . 1.0 109.691 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.6 t -81.01 99.89 8.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.199 0.523 . . . . 1.0 111.126 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -57.74 -31.97 66.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.666 0.746 . . . . 1.0 109.894 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -69.26 -19.88 63.93 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.707 -0.62 . . . . 1.0 110.424 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 84.0 m -133.49 -163.46 1.36 Allowed 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.462 0.649 . . . . 1.0 110.038 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.56 ' H ' ' CD ' ' A' ' 24' ' ' GLN . 3.0 pm0 -110.03 -3.17 16.63 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 121.715 -0.615 . . . . 1.0 111.489 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.24 145.02 54.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.665 0.745 . . . . 1.0 111.427 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.5 p -118.47 141.94 48.07 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.898 -0.501 . . . . 1.0 110.915 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.539 ' O ' ' O ' ' A' ' 18' ' ' TYR . 95.9 m-85 -132.47 150.06 52.22 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 121.555 0.693 . . . . 1.0 111.995 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -95.8 -20.1 19.11 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.651 -0.704 . . . . 1.0 111.213 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.42 ' N ' ' CD1' ' A' ' 29' ' ' TYR . 44.8 m-85 -114.83 145.27 42.33 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 121.39 0.614 . . . . 1.0 111.066 -179.029 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -66.85 -38.24 86.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.502 . . . . 1.0 111.05 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.27 -37.03 94.23 Favored Glycine 0 CA--C 1.518 0.268 0 N-CA-C 110.267 -1.133 . . . . 1.0 110.267 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -62.8 -39.47 94.36 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.379 -0.6 . . . . 1.0 109.379 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.422 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -64.01 -43.99 93.97 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 121.45 0.643 . . . . 1.0 109.576 -179.803 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.44 -36.28 78.81 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.44 -0.578 . . . . 1.0 109.44 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.446 ' O ' HG22 ' A' ' 38' ' ' THR . 35.3 t -58.66 -42.07 87.56 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.313 -0.625 . . . . 1.0 109.313 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -66.62 -35.69 80.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.409 -0.36 . . . . 1.0 110.76 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -50.96 -27.13 6.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.146 0.498 . . . . 1.0 111.239 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.446 HG22 ' O ' ' A' ' 35' ' ' SER . 14.9 t -47.78 -36.58 11.89 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.588 -0.695 . . . . 1.0 111.148 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.8 t -61.57 -43.44 96.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 123.254 0.622 . . . . 1.0 112.21 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -75.18 18.37 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.893 -0.504 . . . . 1.0 112.13 -178.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.6 t -61.71 -38.28 87.27 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.615 -0.678 . . . . 1.0 111.194 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.28 177.1 36.77 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.204 -0.759 . . . . 1.0 111.204 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -162.44 4.23 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.909 0.385 . . . . 1.0 110.955 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 54.6 mttm 60.21 62.34 3.38 Favored Pre-proline 0 CA--C 1.532 0.28 0 O-C-N 121.97 -0.456 . . . . 1.0 110.456 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -75.44 -97.56 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.731 0 C-N-CA 122.567 2.178 . . . . 1.0 113.183 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -110.46 140.25 44.9 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 121.489 0.662 . . . . 1.0 111.114 -179.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -137.85 124.81 21.32 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.452 0.644 . . . . 1.0 109.906 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.88 110.36 8.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.508 0.67 . . . . 1.0 111.066 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 41.7 p-10 -72.6 -25.03 61.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.976 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.1 mp -62.62 -47.98 90.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 1.0 111.513 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.504 ' SG ' ' N ' ' A' ' 52' ' ' GLY . 26.3 p -115.58 -57.07 2.28 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 122.074 -0.392 . . . . 1.0 110.606 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.504 ' N ' ' SG ' ' A' ' 51' ' ' CYS . . . 143.78 -3.38 1.54 Allowed Glycine 0 N--CA 1.47 0.946 0 N-CA-C 112.126 -0.39 . . . . 1.0 112.126 179.304 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.22 173.45 0.07 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.719 0.771 . . . . 1.0 111.667 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -137.59 145.38 42.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.735 -0.666 . . . . 1.0 110.148 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -150.86 152.53 33.84 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.912 0.863 . . . . 1.0 111.719 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -98.28 2.07 47.81 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.519 0.676 . . . . 1.0 109.983 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -140.82 139.91 20.75 Favored Pre-proline 0 N--CA 1.478 0.935 0 O-C-N 121.988 -0.445 . . . . 1.0 110.931 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.69 -33.39 8.3 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 121.466 1.444 . . . . 1.0 112.138 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.89 -45.45 92.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.965 0.412 . . . . 1.0 110.073 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.1 t-20 -63.44 -27.3 69.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.14 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.824 ' O ' HG23 ' A' ' 65' ' ' THR . 1.2 tt -61.4 -48.96 78.81 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.076 -0.712 . . . . 1.0 109.076 -179.69 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -63.62 -43.5 96.65 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.195 -0.668 . . . . 1.0 109.195 179.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 10.7 m -63.37 -34.46 77.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.925 -0.58 . . . . 1.0 109.62 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.439 ' C ' ' N ' ' A' ' 66' ' ' ARG . 1.5 t60 -72.43 -50.02 29.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.767 0.794 . . . . 1.0 109.14 179.108 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.824 HG23 ' O ' ' A' ' 61' ' ' LEU . 81.9 p -48.57 -18.14 0.22 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.952 0.882 . . . . 1.0 109.941 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.439 ' N ' ' C ' ' A' ' 64' ' ' HIS . 59.4 ttp180 -55.29 -33.78 63.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.109 -0.95 . . . . 1.0 110.414 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.54 HG23 ' N ' ' A' ' 68' ' ' HIS . 19.2 tt -64.07 -49.26 82.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.19 0.519 . . . . 1.0 110.626 -179.338 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.54 ' N ' HG23 ' A' ' 67' ' ' ILE . 20.5 p80 -111.93 32.28 5.59 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.946 -0.471 . . . . 1.0 110.433 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.477 ' N ' ' O ' ' A' ' 65' ' ' THR . 6.9 p -45.42 -43.23 11.11 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.461 0.648 . . . . 1.0 110.789 -179.42 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 148.58 -14.33 1.22 Allowed Glycine 0 N--CA 1.464 0.551 0 N-CA-C 110.713 -0.955 . . . . 1.0 110.713 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -160.01 150.29 18.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.067 0.461 . . . . 1.0 110.798 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.459 ' N ' ' CD ' ' A' ' 73' ' ' PRO . 52.3 pttt -169.42 50.99 0.18 Allowed Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.087 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.459 ' CD ' ' N ' ' A' ' 72' ' ' LYS . 38.2 Cg_endo -63.76 148.64 91.94 Favored 'Trans proline' 0 N--CA 1.5 1.875 0 C-N-CA 122.619 2.213 . . . . 1.0 112.6 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 61.9 t80 . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.965 -1.017 . . . . 1.0 110.815 179.658 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.49 ' O ' ' N ' ' A' ' 13' ' ' HIS . 67.5 mtt . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 108.836 -0.802 . . . . 1.0 108.836 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.0 m 59.57 -76.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.739 0.304 . . . . 1.0 110.793 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.49 ' N ' ' O ' ' A' ' 11' ' ' MET . 39.7 p-80 -74.5 -13.64 60.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.975 0.417 . . . . 1.0 110.694 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.1 t -62.22 -44.01 97.55 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 122.031 -0.418 . . . . 1.0 111.778 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 40.6 p30 -76.4 -5.25 46.46 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.927 -0.483 . . . . 1.0 110.83 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -132.56 68.88 79.72 Favored Pre-proline 0 N--CA 1.471 0.61 0 C-N-CA 123.457 0.703 . . . . 1.0 109.536 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -77.37 -11.25 17.44 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.239 1.959 . . . . 1.0 112.063 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.511 ' O ' ' O ' ' A' ' 27' ' ' PHE . 68.2 m-85 -116.56 104.71 11.68 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.418 0.628 . . . . 1.0 110.956 -179.432 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -141.76 153.48 44.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.438 0.637 . . . . 1.0 109.826 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.6 t -76.58 111.2 11.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.972 0.415 . . . . 1.0 111.315 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' A' ' 22' ' ' ARG . 48.0 p-10 -66.11 -31.99 73.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.464 0.649 . . . . 1.0 109.955 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.451 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 75.2 ttt180 -68.0 -41.88 81.61 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.68 -0.638 . . . . 1.0 110.428 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 72.0 m -107.18 -171.56 1.91 Allowed 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.365 0.603 . . . . 1.0 110.128 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -99.66 -20.21 16.42 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.749 -0.595 . . . . 1.0 111.442 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.46 160.22 0.88 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.608 0.718 . . . . 1.0 111.494 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.5 t -139.64 145.78 38.9 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.919 -0.488 . . . . 1.0 110.719 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.511 ' O ' ' O ' ' A' ' 18' ' ' TYR . 98.9 m-85 -132.47 153.43 50.89 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 121.41 0.624 . . . . 1.0 111.828 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 91.2 mtm180 -96.27 -3.66 43.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.826 -0.624 . . . . 1.0 110.989 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -131.92 146.59 52.2 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 121.417 0.627 . . . . 1.0 111.036 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -70.41 -35.36 73.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.96 -0.563 . . . . 1.0 111.363 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.44 -37.83 94.21 Favored Glycine 0 CA--C 1.517 0.198 0 N-CA-C 110.192 -1.163 . . . . 1.0 110.192 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -63.43 -39.19 93.82 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.338 -0.616 . . . . 1.0 109.338 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.473 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -61.84 -43.51 98.71 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.469 -0.567 . . . . 1.0 109.469 -179.901 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.75 -37.18 81.79 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 109.395 -0.594 . . . . 1.0 109.395 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.486 ' O ' HG22 ' A' ' 38' ' ' THR . 45.1 t -61.55 -39.24 90.37 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.195 0.521 . . . . 1.0 109.641 179.096 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -66.36 -35.45 80.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.862 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.1 pttp -42.58 -26.16 0.11 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.573 0.701 . . . . 1.0 111.56 -179.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.486 HG22 ' O ' ' A' ' 35' ' ' SER . 9.0 t -56.61 -36.2 69.15 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.548 -0.72 . . . . 1.0 110.788 -178.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 49.5 t -59.55 -24.21 27.93 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 C-N-CA 123.229 0.612 . . . . 1.0 111.956 -179.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 41.2 m170 -71.16 -14.82 62.4 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 121.902 -0.499 . . . . 1.0 112.115 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.9 m 57.22 114.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.653 -0.654 . . . . 1.0 111.338 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 168.24 -23.49 0.11 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.608 -0.997 . . . . 1.0 110.608 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 55.59 24.01 6.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.729 0.299 . . . . 1.0 111.049 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -64.32 155.27 80.72 Favored Pre-proline 0 CA--C 1.541 0.598 0 O-C-N 122.025 -0.422 . . . . 1.0 110.42 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -68.66 -92.84 0.0 OUTLIER 'Trans proline' 0 N--CA 1.502 2.024 0 C-N-CA 122.552 2.168 . . . . 1.0 112.894 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -133.49 146.45 51.11 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 121.589 0.709 . . . . 1.0 111.081 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -139.32 140.38 37.54 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.882 -0.599 . . . . 1.0 109.868 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.0 t -79.17 114.64 18.27 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.511 0.672 . . . . 1.0 110.923 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 -65.73 -33.39 75.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.821 -0.627 . . . . 1.0 111.174 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 30.9 mt -63.45 -43.19 98.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-O 121.03 0.443 . . . . 1.0 111.066 -179.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 16.3 m -115.76 -70.54 0.79 Allowed 'General case' 0 N--CA 1.475 0.815 0 O-C-N 122.019 -0.425 . . . . 1.0 110.472 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.467 ' O ' ' NE2' ' A' ' 54' ' ' GLN . . . 143.05 12.84 0.36 Allowed Glycine 0 CA--C 1.531 1.064 0 N-CA-C 112.041 -0.424 . . . . 1.0 112.041 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.2 137.89 51.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 117.827 0.813 . . . . 1.0 111.642 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.467 ' NE2' ' O ' ' A' ' 52' ' ' GLY . 21.3 mp0 -92.99 144.34 25.35 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.958 -0.564 . . . . 1.0 110.101 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -134.76 140.37 45.86 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 121.77 0.795 . . . . 1.0 111.905 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -92.07 3.21 55.76 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.556 0.693 . . . . 1.0 109.909 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.3 ptp85 -166.8 147.76 5.26 Favored Pre-proline 0 CA--C 1.543 0.694 0 O-C-N 122.006 -0.434 . . . . 1.0 110.508 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.82 -27.26 44.11 Favored 'Trans proline' 0 N--CA 1.497 1.729 0 C-N-CA 122.186 1.924 . . . . 1.0 111.925 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.22 -46.73 79.38 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 110.111 -0.329 . . . . 1.0 110.111 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -65.54 -38.78 90.59 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.938 -0.393 . . . . 1.0 109.938 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 64' ' ' HIS . 1.3 tt -63.56 -49.36 73.74 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.034 -0.728 . . . . 1.0 109.034 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -45.45 -43.1 11.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.683 0.754 . . . . 1.0 109.676 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.2 m -63.51 -37.51 87.6 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.646 -0.706 . . . . 1.0 109.518 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.457 ' N ' ' O ' ' A' ' 61' ' ' LEU . 79.7 t60 -71.39 -39.55 71.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.799 0.809 . . . . 1.0 109.542 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 61' ' ' LEU . 72.1 p -60.91 -33.15 72.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.901 -0.591 . . . . 1.0 109.42 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -59.43 -34.73 72.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.173 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 67.1 mt -63.81 -40.84 90.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.928 0.394 . . . . 1.0 110.349 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -65.71 -38.62 89.72 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 122.05 -0.406 . . . . 1.0 110.262 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.9 t -152.64 147.15 25.8 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.304 0.573 . . . . 1.0 110.257 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 165.99 -27.23 0.18 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.886 -0.886 . . . . 1.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.11 -41.13 99.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.892 0.377 . . . . 1.0 110.574 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -162.51 73.77 2.16 Favored Pre-proline 0 CA--C 1.534 0.363 0 N-CA-C 110.011 -0.366 . . . . 1.0 110.011 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -57.5 143.33 94.7 Favored 'Trans proline' 0 N--CA 1.5 1.893 0 C-N-CA 122.771 2.314 . . . . 1.0 112.676 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.07 -0.966 . . . . 1.0 110.703 179.752 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 19.0 ptm . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.343 -0.614 . . . . 1.0 109.343 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.2 p -64.97 -32.78 74.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.55 -0.295 . . . . 1.0 110.979 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.9 p-80 -71.56 159.79 33.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.045 0.45 . . . . 1.0 110.702 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 67.2 p -154.21 37.93 0.44 Allowed 'General case' 0 N--CA 1.466 0.341 0 O-C-N 122.089 -0.382 . . . . 1.0 111.627 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -65.52 -43.75 89.07 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 121.865 -0.522 . . . . 1.0 110.806 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.28 76.89 75.27 Favored Pre-proline 0 N--CA 1.472 0.646 0 C-N-CA 123.649 0.78 . . . . 1.0 109.504 179.514 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -77.42 -17.27 14.72 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.116 1.877 . . . . 1.0 112.017 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.461 ' O ' ' O ' ' A' ' 27' ' ' PHE . 91.8 m-85 -105.79 111.32 23.94 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 121.606 0.717 . . . . 1.0 111.004 -179.412 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -142.09 141.0 32.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.642 0.734 . . . . 1.0 109.789 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.46 ' N ' HD21 ' A' ' 33' ' ' LEU . 12.4 t -67.97 112.67 5.11 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.067 0.461 . . . . 1.0 110.97 -178.75 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' A' ' 22' ' ' ARG . 33.6 p30 -66.19 -32.97 74.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.574 0.702 . . . . 1.0 110.008 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.505 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 8.1 tpm_? -67.66 -21.77 65.34 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.652 -0.655 . . . . 1.0 110.654 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 74.3 m -126.63 -174.67 3.19 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.493 0.663 . . . . 1.0 109.942 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -104.9 1.07 28.54 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.788 -0.57 . . . . 1.0 111.434 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.07 -178.09 0.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.455 0.645 . . . . 1.0 111.46 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.414 ' C ' ' CD1' ' A' ' 27' ' ' PHE . 35.7 p -149.39 156.12 41.55 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.911 -0.493 . . . . 1.0 110.73 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.461 ' O ' ' O ' ' A' ' 18' ' ' TYR . 96.5 m-85 -151.48 152.55 33.16 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.35 0.595 . . . . 1.0 111.544 -179.381 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -95.8 -19.21 19.79 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.925 -0.579 . . . . 1.0 111.213 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -118.02 138.91 51.89 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 121.246 0.546 . . . . 1.0 111.273 -179.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -67.22 -34.98 78.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.937 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.7 -34.86 90.08 Favored Glycine 0 CA--C 1.518 0.229 0 N-CA-C 110.317 -1.113 . . . . 1.0 110.317 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -63.33 -38.24 90.4 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 108.869 -0.789 . . . . 1.0 108.869 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.534 ' O ' HD13 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -62.66 -42.36 99.58 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.775 -0.454 . . . . 1.0 109.775 -179.899 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.84 90.18 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 109.235 -0.654 . . . . 1.0 109.235 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 55.7 m -62.74 -43.6 98.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.281 0.563 . . . . 1.0 109.762 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -72.83 -34.91 67.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.692 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -65.37 -39.54 92.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.072 0.463 . . . . 1.0 111.201 -179.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.0 p -54.76 -19.21 5.85 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.628 -0.67 . . . . 1.0 110.765 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.94 -44.08 97.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 122.972 0.509 . . . . 1.0 112.102 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 20.4 p80 -124.93 23.49 7.83 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 121.875 -0.515 . . . . 1.0 111.892 -178.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 69.8 m -66.71 134.94 53.24 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 121.607 -0.683 . . . . 1.0 111.204 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -164.68 162.69 35.72 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.919 -0.872 . . . . 1.0 110.919 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -75.75 52.62 0.68 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.175 0.512 . . . . 1.0 111.168 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.84 66.81 27.44 Favored Pre-proline 0 N--CA 1.475 0.79 0 O-C-N 121.919 -0.488 . . . . 1.0 110.593 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -42.56 -64.84 0.22 Allowed 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.866 2.378 . . . . 1.0 113.105 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -139.15 144.4 38.6 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 121.418 0.628 . . . . 1.0 110.95 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -139.32 140.68 37.63 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.976 -0.556 . . . . 1.0 109.75 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 20.0 t -79.8 111.61 16.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.582 0.706 . . . . 1.0 111.025 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -64.99 -35.48 81.33 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.716 -0.674 . . . . 1.0 110.87 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.66 HD12 ' N ' ' A' ' 50' ' ' ILE . 3.0 mp -63.6 -43.52 98.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.046 0.45 . . . . 1.0 111.081 -178.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 56.1 m -111.36 -69.66 0.86 Allowed 'General case' 0 N--CA 1.471 0.6 0 O-C-N 122.045 -0.41 . . . . 1.0 110.47 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 141.9 6.55 0.79 Allowed Glycine 0 CA--C 1.528 0.862 0 N-CA-C 111.978 -0.449 . . . . 1.0 111.978 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.71 141.38 55.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 117.833 0.817 . . . . 1.0 111.771 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -99.07 145.33 27.23 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.232 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -132.99 147.52 52.28 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 122.084 0.945 . . . . 1.0 111.703 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -93.25 -14.64 26.79 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.699 -0.682 . . . . 1.0 109.915 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -141.25 146.14 41.47 Favored Pre-proline 0 N--CA 1.474 0.731 0 O-C-N 122.061 -0.4 . . . . 1.0 110.867 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -69.14 -28.99 27.56 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.057 1.838 . . . . 1.0 112.015 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.53 -42.42 92.26 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 110.051 -0.351 . . . . 1.0 110.051 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -63.25 -42.98 99.25 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.961 -0.385 . . . . 1.0 109.961 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 64' ' ' HIS . 1.6 tt -66.45 -45.22 80.51 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.083 -0.71 . . . . 1.0 109.083 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -47.87 -41.1 23.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.623 0.725 . . . . 1.0 109.251 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 93.3 m -66.76 -32.42 73.7 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.723 -0.671 . . . . 1.0 109.735 178.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 61' ' ' LEU . 79.1 t60 -74.9 -38.68 61.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.727 0.775 . . . . 1.0 109.408 179.318 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 61.0 p -60.22 -32.93 71.57 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.352 -0.61 . . . . 1.0 109.352 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -59.27 -35.8 74.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.231 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 67.5 mt -63.41 -43.05 98.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 110.014 -0.365 . . . . 1.0 110.014 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.414 ' CE1' HG21 ' A' ' 50' ' ' ILE . 35.0 m-70 -67.49 -37.83 83.42 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 121.999 -0.438 . . . . 1.0 110.347 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 85.0 p -62.57 153.27 32.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.265 0.555 . . . . 1.0 110.325 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 151.81 1.99 0.22 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.904 -0.878 . . . . 1.0 110.904 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -163.82 170.59 16.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.878 0.371 . . . . 1.0 110.636 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp 53.98 73.05 0.97 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 120.767 0.318 . . . . 1.0 110.458 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -53.27 -38.4 81.78 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.817 2.344 . . . . 1.0 112.58 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.948 -1.025 . . . . 1.0 110.39 -179.665 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.533 ' SD ' ' N ' ' A' ' 11' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.435 -0.58 . . . . 1.0 109.435 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 65.1 p -70.76 138.64 50.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 1.0 110.207 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.6 p-80 -72.49 -17.07 61.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.997 0.427 . . . . 1.0 110.643 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 65.3 m -58.45 -37.73 76.06 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.949 -0.469 . . . . 1.0 111.757 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -69.75 -43.65 71.81 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 121.91 -0.494 . . . . 1.0 110.911 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -132.25 70.69 80.05 Favored Pre-proline 0 N--CA 1.469 0.518 0 C-N-CA 123.462 0.705 . . . . 1.0 110.054 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -79.11 -15.17 13.07 Favored 'Trans proline' 0 C--N 1.304 -1.794 0 C-N-CA 122.24 1.96 . . . . 1.0 112.085 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.437 ' O ' ' O ' ' A' ' 27' ' ' PHE . 78.7 m-85 -109.75 113.06 25.5 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.246 0.546 . . . . 1.0 110.745 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -140.65 144.06 35.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.655 0.741 . . . . 1.0 109.783 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.408 ' N ' HD21 ' A' ' 33' ' ' LEU . 11.2 t -72.78 111.99 8.42 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 121.296 0.57 . . . . 1.0 110.943 -178.714 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -64.52 -18.78 65.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.747 0.784 . . . . 1.0 110.079 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -66.55 -35.58 80.58 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 121.687 -0.633 . . . . 1.0 110.405 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.8 p -135.84 -168.97 2.31 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.43 0.633 . . . . 1.0 109.899 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -89.37 -3.07 58.6 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.788 -0.57 . . . . 1.0 111.628 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.96 156.52 3.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.816 0.817 . . . . 1.0 111.572 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.9 p -134.85 154.33 51.69 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 121.862 -0.523 . . . . 1.0 110.786 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.437 ' O ' ' O ' ' A' ' 18' ' ' TYR . 95.6 m-85 -150.43 147.96 28.18 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 121.419 0.628 . . . . 1.0 111.554 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -95.97 -1.14 49.67 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.893 -0.594 . . . . 1.0 111.192 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -134.85 135.3 41.58 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.02 0.438 . . . . 1.0 111.091 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -66.88 -34.31 77.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.512 -0.313 . . . . 1.0 110.925 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.36 -35.81 91.91 Favored Glycine 0 CA--C 1.52 0.352 0 N-CA-C 110.461 -1.056 . . . . 1.0 110.461 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -63.49 -40.6 97.51 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.039 -0.726 . . . . 1.0 109.039 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.486 ' O ' HD13 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -62.63 -41.72 99.18 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.662 -0.495 . . . . 1.0 109.662 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.93 -39.1 88.15 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 109.153 -0.684 . . . . 1.0 109.153 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.9 t -67.15 -45.59 76.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.238 0.542 . . . . 1.0 109.942 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 59.8 t60 -67.56 -41.12 84.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.96 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.7 ttpp -52.75 -21.16 3.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.151 0.5 . . . . 1.0 111.241 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 80.3 p -62.79 -30.03 71.15 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 121.5 -0.75 . . . . 1.0 110.726 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 62.6 t -61.37 -45.57 98.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 123.114 0.566 . . . . 1.0 112.147 -179.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -66.8 -40.08 87.98 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.889 -0.507 . . . . 1.0 111.918 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.9 p -65.3 137.97 57.89 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 121.747 -0.596 . . . . 1.0 111.207 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -175.38 -168.27 35.63 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.074 -0.81 . . . . 1.0 111.074 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.0 160.47 20.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.116 0.484 . . . . 1.0 110.176 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.7 pttp 36.82 72.08 0.86 Allowed Pre-proline 0 N--CA 1.477 0.896 0 O-C-N 121.913 -0.492 . . . . 1.0 110.907 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -50.53 -50.07 14.72 Favored 'Trans proline' 0 C--N 1.304 -1.815 0 C-N-CA 122.925 2.417 . . . . 1.0 113.223 -178.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -137.23 140.87 41.97 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.371 0.605 . . . . 1.0 110.801 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -138.56 144.59 39.93 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.974 -0.557 . . . . 1.0 109.795 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 19.7 t -81.17 113.95 19.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.605 0.717 . . . . 1.0 110.951 -179.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -63.93 -37.24 86.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.728 -0.669 . . . . 1.0 110.654 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.678 ' H ' HD12 ' A' ' 50' ' ' ILE . 3.1 mp -63.76 -43.81 98.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.057 0.456 . . . . 1.0 110.846 -178.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 59.3 m -109.21 -71.93 0.74 Allowed 'General case' 0 N--CA 1.474 0.745 0 O-C-N 122.038 -0.414 . . . . 1.0 110.641 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.463 ' O ' ' NE2' ' A' ' 54' ' ' GLN . . . 140.08 8.2 0.9 Allowed Glycine 0 CA--C 1.529 0.944 0 N-CA-C 112.051 -0.42 . . . . 1.0 112.051 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.13 139.87 54.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 117.932 0.866 . . . . 1.0 111.52 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.463 ' NE2' ' O ' ' A' ' 52' ' ' GLY . 17.2 mp0 -93.98 145.53 24.58 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.233 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -131.97 148.87 52.54 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 122.157 0.98 . . . . 1.0 111.72 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -94.46 -14.63 25.0 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.632 0.73 . . . . 1.0 110.102 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 64.3 mtp85 -146.26 146.81 29.16 Favored Pre-proline 0 N--CA 1.472 0.663 0 O-C-N 121.993 -0.442 . . . . 1.0 110.643 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -68.31 -26.65 35.2 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 121.711 1.608 . . . . 1.0 111.994 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.73 -42.23 96.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.929 0.395 . . . . 1.0 110.115 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -64.37 -40.89 96.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.17 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 64' ' ' HIS . 1.6 tt -65.2 -45.88 82.96 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.917 -0.771 . . . . 1.0 108.917 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -48.55 -40.39 26.9 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.225 -0.657 . . . . 1.0 109.225 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 16.4 m -65.57 -34.53 78.46 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.497 -0.557 . . . . 1.0 109.497 178.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 61' ' ' LEU . 86.4 t60 -75.09 -37.2 61.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.39 0.614 . . . . 1.0 109.685 179.184 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 80.3 p -61.15 -32.77 72.48 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.278 -0.638 . . . . 1.0 109.278 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -34.34 72.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.622 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 66.6 mt -62.38 -43.24 97.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.722 0.296 . . . . 1.0 110.238 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.456 ' CE1' HG21 ' A' ' 50' ' ' ILE . 76.1 m-70 -66.36 -38.4 87.51 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 122.079 -0.388 . . . . 1.0 110.23 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 59.0 m -72.12 50.86 0.22 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.098 0.475 . . . . 1.0 110.524 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -164.89 88.3 0.1 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.998 -0.841 . . . . 1.0 110.998 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -170.66 34.02 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.145 0.497 . . . . 1.0 110.47 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.415 ' N ' ' CD ' ' A' ' 73' ' ' PRO . 57.7 mttp -141.07 53.63 3.8 Favored Pre-proline 0 N--CA 1.466 0.372 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.034 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.415 ' CD ' ' N ' ' A' ' 72' ' ' LYS . 45.8 Cg_endo -65.64 147.81 86.52 Favored 'Trans proline' 0 N--CA 1.5 1.858 0 C-N-CA 122.583 2.189 . . . . 1.0 112.522 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 118.067 -0.968 . . . . 1.0 110.498 179.853 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.769 0 N-CA-C 109.819 -0.437 . . . . 1.0 109.819 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -61.78 -20.99 71.17 Favored 'Trans proline' 0 N--CA 1.498 1.761 0 C-N-CA 122.186 1.924 . . . . 1.0 112.025 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.455 ' O ' ' O ' ' A' ' 27' ' ' PHE . 61.6 m-85 -118.9 82.33 1.84 Allowed 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 121.568 0.699 . . . . 1.0 110.959 -179.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.08 152.18 44.7 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.545 0.688 . . . . 1.0 109.758 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.6 t -71.15 106.34 3.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.039 0.447 . . . . 1.0 111.18 -179.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -76.76 49.03 0.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.87 0.843 . . . . 1.0 109.998 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 83.6 mtt85 -142.22 -32.39 0.51 Allowed 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.687 -0.633 . . . . 1.0 110.366 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.7 p -139.72 -173.29 3.59 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.439 0.638 . . . . 1.0 109.908 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -67.21 -33.31 75.09 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.831 -0.543 . . . . 1.0 111.874 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -41.19 142.89 0.47 Allowed 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.43 0.633 . . . . 1.0 111.897 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.9 m -149.58 151.08 33.22 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.953 -0.467 . . . . 1.0 110.748 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.556 ' CD1' ' ND2' ' A' ' 32' ' ' ASN . 96.0 m-85 -148.49 157.62 43.58 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.332 0.587 . . . . 1.0 111.742 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -97.92 -5.83 33.54 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.906 -0.588 . . . . 1.0 111.154 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -118.92 146.52 44.88 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 121.395 0.617 . . . . 1.0 111.297 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.476 ' HD3' ' H ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -74.81 -38.59 62.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.905 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.67 -38.53 95.78 Favored Glycine 0 C--N 1.329 0.165 0 N-CA-C 110.169 -1.173 . . . . 1.0 110.169 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.556 ' ND2' ' CD1' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -63.94 -38.42 91.03 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.456 -0.572 . . . . 1.0 109.456 179.524 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.444 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -62.93 -44.19 96.75 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.538 -0.541 . . . . 1.0 109.538 -179.824 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.34 -39.41 93.0 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.438 -0.578 . . . . 1.0 109.438 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.7 t -62.34 -42.93 99.79 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.348 0.594 . . . . 1.0 109.481 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 72.5 t60 -66.93 -33.74 76.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.633 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.8 tttp . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.919 0.39 . . . . 1.0 111.048 -179.391 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 . . . . . 0 N--CA 1.472 0.659 0 CA-C-O 121.192 0.52 . . . . 1.0 110.978 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 78.1 ttt-85 -137.98 130.26 29.07 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.191 0.52 . . . . 1.0 109.672 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.411 ' O ' ' N ' ' A' ' 52' ' ' GLY . 20.9 t -80.05 108.77 13.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.215 0.531 . . . . 1.0 110.962 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -64.05 -32.73 74.39 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 116.164 -0.471 . . . . 1.0 111.234 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 28.0 mt -63.04 -47.87 90.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.077 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 36.0 m -105.66 -58.8 1.85 Allowed 'General case' 0 N--CA 1.476 0.825 0 O-C-N 121.983 -0.448 . . . . 1.0 110.524 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 48' ' ' CYS . . . 127.59 10.64 3.56 Favored Glycine 0 N--CA 1.475 1.274 0 N-CA-C 112.141 -0.384 . . . . 1.0 112.141 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.07 138.83 42.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 117.827 0.814 . . . . 1.0 111.417 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -101.23 135.4 42.77 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.113 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -132.42 143.74 50.02 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 122.346 1.07 . . . . 1.0 111.592 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 53.6 p-10 -102.08 -2.01 30.39 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.453 -0.794 . . . . 1.0 110.08 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -135.28 136.11 23.85 Favored Pre-proline 0 N--CA 1.479 0.982 0 O-C-N 121.983 -0.448 . . . . 1.0 111.044 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.27 -23.92 27.94 Favored 'Trans proline' 0 C--N 1.304 -1.814 0 C-N-CA 121.689 1.593 . . . . 1.0 112.008 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.48 -51.4 69.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.035 0.445 . . . . 1.0 110.152 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -63.17 -38.76 92.46 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.944 -0.391 . . . . 1.0 109.944 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.824 ' O ' HG23 ' A' ' 65' ' ' THR . 0.2 OUTLIER -64.02 -42.39 97.14 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.405 -0.591 . . . . 1.0 109.405 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -59.06 -46.55 87.97 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 108.969 -0.752 . . . . 1.0 108.969 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.1 p -66.32 -31.24 71.91 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.541 -0.54 . . . . 1.0 109.541 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -71.19 -39.8 71.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.743 0.782 . . . . 1.0 109.247 179.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.824 HG23 ' O ' ' A' ' 61' ' ' LEU . 50.0 p -62.39 -18.13 60.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.488 0.661 . . . . 1.0 109.554 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 73.4 ttp85 . . . . . 0 CA--C 1.534 0.364 0 CA-C-N 115.597 -0.729 . . . . 1.0 110.383 -179.51 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.0 mttp . . . . . 0 N--CA 1.47 0.544 0 N-CA-C 109.827 -0.434 . . . . 1.0 109.827 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.49 -12.6 20.57 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 121.962 1.775 . . . . 1.0 112.203 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.54 ' O ' ' O ' ' A' ' 27' ' ' PHE . 93.1 m-85 -103.91 101.67 11.46 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.11 0.481 . . . . 1.0 111.022 -179.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.8 pttt -141.26 151.35 43.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.359 0.6 . . . . 1.0 110.031 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.1 t -78.67 108.71 12.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.172 0.51 . . . . 1.0 111.463 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -63.65 -33.41 75.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.331 0.586 . . . . 1.0 109.93 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -67.47 -14.78 63.23 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.703 -0.623 . . . . 1.0 110.341 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 60.2 m -137.82 -168.26 2.3 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.379 0.609 . . . . 1.0 110.067 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -100.57 -26.75 13.72 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.822 -0.549 . . . . 1.0 111.481 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.18 157.11 0.09 Allowed 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.517 0.675 . . . . 1.0 111.678 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.8 t -137.26 147.23 45.59 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.944 -0.472 . . . . 1.0 110.774 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.54 ' O ' ' O ' ' A' ' 18' ' ' TYR . 97.7 m-85 -140.34 154.95 46.93 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 121.417 0.627 . . . . 1.0 111.776 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -96.4 -22.41 17.18 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.923 -0.58 . . . . 1.0 111.13 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.43 ' N ' ' CD1' ' A' ' 29' ' ' TYR . 39.1 m-85 -111.15 141.95 43.98 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 121.292 0.568 . . . . 1.0 111.073 -179.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -64.99 -38.3 90.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.961 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.44 -38.45 96.32 Favored Glycine 0 CA--C 1.52 0.394 0 N-CA-C 110.482 -1.047 . . . . 1.0 110.482 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -63.23 -38.93 93.11 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.507 -0.553 . . . . 1.0 109.507 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.456 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -62.28 -45.09 94.81 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.272 -0.64 . . . . 1.0 109.272 -179.833 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.82 -36.7 82.97 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.235 -0.654 . . . . 1.0 109.235 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.8 t -62.9 -41.72 99.53 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.413 -0.588 . . . . 1.0 109.413 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -59.39 -39.89 84.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.542 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 97.2 mttt . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.801 0.334 . . . . 1.0 111.124 -179.538 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 . . . . . 0 N--CA 1.472 0.663 0 CA-C-O 121.272 0.558 . . . . 1.0 110.891 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.491 HH22 HE21 ' A' ' 54' ' ' GLN . 62.4 ttm-85 -139.5 135.23 33.28 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.148 -0.478 . . . . 1.0 109.857 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 52' ' ' GLY . 18.3 t -78.38 109.27 12.39 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.604 0.716 . . . . 1.0 111.078 -179.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -60.25 -38.18 82.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.773 -0.648 . . . . 1.0 110.861 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 17.9 mt -62.11 -45.38 98.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.149 0.5 . . . . 1.0 111.067 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 73.5 m -103.34 -66.44 0.94 Allowed 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.958 -0.464 . . . . 1.0 110.65 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 48' ' ' CYS . . . 121.31 31.67 1.14 Allowed Glycine 0 N--CA 1.474 1.167 0 N-CA-C 111.976 -0.45 . . . . 1.0 111.976 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.34 152.93 19.51 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 117.803 0.802 . . . . 1.0 111.308 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.491 HE21 HH22 ' A' ' 47' ' ' ARG . 88.5 mt-30 -94.23 140.77 29.35 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.173 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -133.26 149.03 51.98 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 122.138 0.97 . . . . 1.0 111.737 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -108.45 -6.1 16.31 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 115.632 -0.713 . . . . 1.0 110.306 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.568 HH21 HD21 ' A' ' 60' ' ' ASN . 51.7 mtm180 -145.13 143.29 19.98 Favored Pre-proline 0 N--CA 1.477 0.889 0 CA-C-O 119.19 -0.433 . . . . 1.0 110.861 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -70.15 -23.73 28.7 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 121.779 1.653 . . . . 1.0 111.932 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.92 -30.18 71.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.165 0.507 . . . . 1.0 110.191 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.568 HD21 HH21 ' A' ' 57' ' ' ARG . 10.3 m120 -66.69 -33.27 75.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.22 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.517 HD22 ' N ' ' A' ' 61' ' ' LEU . 3.3 mm? -63.41 -41.05 98.71 Favored 'General case' 0 CA--C 1.51 -0.593 0 N-CA-C 109.275 -0.639 . . . . 1.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -60.29 -42.98 96.6 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-O 121.896 0.855 . . . . 1.0 109.274 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 19.3 m -70.83 -43.72 67.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.375 -0.83 . . . . 1.0 110.104 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -64.14 -45.56 87.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.464 -0.789 . . . . 1.0 109.601 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.0 p -52.06 -42.02 62.81 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 119.976 -0.69 . . . . 1.0 109.684 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 62.9 ttt-85 . . . . . 0 N--CA 1.471 0.581 0 CA-C-O 121.159 0.504 . . . . 1.0 110.854 179.607 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.7 mptt . . . . . 0 N--CA 1.474 0.746 0 N-CA-C 109.82 -0.437 . . . . 1.0 109.82 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -75.69 -10.69 20.18 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 121.746 1.63 . . . . 1.0 111.988 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.487 ' O ' ' O ' ' A' ' 27' ' ' PHE . 86.7 m-85 -112.11 102.48 10.68 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 121.548 0.69 . . . . 1.0 111.168 -179.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -140.94 152.53 45.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.573 0.701 . . . . 1.0 109.729 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.6 t -78.78 108.23 12.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.113 0.483 . . . . 1.0 111.403 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -64.35 -34.01 77.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.456 0.646 . . . . 1.0 109.913 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 85.5 mtt85 -66.36 -19.24 65.75 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.685 -0.634 . . . . 1.0 110.328 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 78.2 m -131.5 -170.91 2.47 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.305 0.574 . . . . 1.0 110.14 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -99.42 -25.27 14.52 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.806 -0.559 . . . . 1.0 111.512 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.1 172.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.34 0.59 . . . . 1.0 111.655 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.8 p -151.48 156.25 40.2 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 121.972 -0.455 . . . . 1.0 110.649 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.487 ' O ' ' O ' ' A' ' 18' ' ' TYR . 97.7 m-85 -148.96 152.72 36.84 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.449 0.642 . . . . 1.0 111.677 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -93.95 -18.75 21.59 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.769 -0.65 . . . . 1.0 111.207 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' A' ' 29' ' ' TYR . 39.4 m-85 -114.97 141.06 48.49 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 121.227 0.537 . . . . 1.0 111.235 -179.195 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -64.83 -38.05 89.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.946 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.78 -37.12 94.22 Favored Glycine 0 CA--C 1.518 0.25 0 N-CA-C 110.318 -1.113 . . . . 1.0 110.318 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -63.04 -38.95 93.23 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.191 -0.67 . . . . 1.0 109.191 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.464 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -62.15 -42.9 99.7 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.569 -0.53 . . . . 1.0 109.569 -179.818 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.87 -38.98 90.24 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 109.296 -0.631 . . . . 1.0 109.296 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.8 p -60.44 -36.95 79.43 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.539 -0.541 . . . . 1.0 109.539 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -68.35 -36.06 78.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.688 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 120.938 0.399 . . . . 1.0 111.036 -179.196 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 . . . . . 0 CA--C 1.522 -0.119 0 CA-C-O 121.416 0.627 . . . . 1.0 111.249 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.674 HH12 HE21 ' A' ' 54' ' ' GLN . 60.6 ttm-85 -138.24 132.04 31.13 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.308 0.575 . . . . 1.0 109.88 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.5 t -79.33 108.75 13.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.551 0.691 . . . . 1.0 111.258 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -62.95 -38.49 91.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.833 -0.621 . . . . 1.0 110.843 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.433 ' H ' HD12 ' A' ' 50' ' ' ILE . 3.1 mp -64.78 -45.0 96.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.001 0.429 . . . . 1.0 111.44 -179.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 81.1 m -102.86 -72.13 0.7 Allowed 'General case' 0 N--CA 1.469 0.481 0 O-C-N 122.009 -0.432 . . . . 1.0 110.34 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 140.06 2.22 1.65 Allowed Glycine 0 N--CA 1.47 0.904 0 N-CA-C 112.122 -0.391 . . . . 1.0 112.122 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.4 147.5 47.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.721 0.772 . . . . 1.0 111.497 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.674 HE21 HH12 ' A' ' 47' ' ' ARG . 86.5 mt-30 -101.31 136.06 41.78 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.782 -0.645 . . . . 1.0 109.923 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -129.7 134.2 47.51 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-O 121.913 0.863 . . . . 1.0 111.6 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -98.7 6.55 46.89 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.468 0.651 . . . . 1.0 109.948 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -137.67 132.76 17.59 Favored Pre-proline 0 CA--C 1.544 0.737 0 O-C-N 122.011 -0.431 . . . . 1.0 111.072 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -70.44 -30.19 19.49 Favored 'Trans proline' 0 N--CA 1.499 1.815 0 C-N-CA 121.822 1.681 . . . . 1.0 112.102 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.25 -41.61 98.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.484 -0.325 . . . . 1.0 110.177 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -64.49 -40.25 95.31 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.745 -0.465 . . . . 1.0 109.745 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.832 ' O ' HG23 ' A' ' 65' ' ' THR . 0.2 OUTLIER -63.53 -42.0 98.46 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.315 -0.624 . . . . 1.0 109.315 -179.806 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -59.31 -47.77 84.14 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.006 -0.739 . . . . 1.0 109.006 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.0 m -64.03 -33.41 75.67 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 116.046 -0.525 . . . . 1.0 109.745 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -69.63 -40.72 76.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.779 0.8 . . . . 1.0 109.337 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.832 HG23 ' O ' ' A' ' 61' ' ' LEU . 51.9 p -61.67 -17.96 57.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.352 0.596 . . . . 1.0 109.752 179.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 115.7 -0.682 . . . . 1.0 110.323 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp . . . . . 0 N--CA 1.473 0.688 0 N-CA-C 109.994 -0.373 . . . . 1.0 109.994 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -79.65 1.45 9.2 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.148 1.899 . . . . 1.0 112.119 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.413 ' O ' ' O ' ' A' ' 27' ' ' PHE . 78.9 m-85 -136.79 79.95 1.79 Allowed 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 121.323 0.582 . . . . 1.0 110.681 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.496 ' HD2' ' H ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -120.56 137.02 54.62 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 122.039 0.923 . . . . 1.0 109.686 -179.863 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.529 ' N ' HD21 ' A' ' 33' ' ' LEU . 23.0 t -64.92 102.54 0.61 Allowed 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.969 -178.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -68.86 -21.1 64.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.565 0.698 . . . . 1.0 109.8 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -67.77 -38.21 83.12 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 121.775 -0.578 . . . . 1.0 110.488 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 75.6 m -115.84 -164.95 0.99 Allowed 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.475 0.655 . . . . 1.0 109.953 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -96.25 -23.66 16.59 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 121.78 -0.575 . . . . 1.0 111.375 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.88 175.0 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.705 0.764 . . . . 1.0 111.481 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.417 ' O ' ' CG ' ' A' ' 27' ' ' PHE . 24.3 t -155.45 156.65 35.66 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 121.868 -0.52 . . . . 1.0 110.791 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.417 ' CG ' ' O ' ' A' ' 26' ' ' SER . 99.7 m-85 -155.03 154.09 31.95 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.426 0.631 . . . . 1.0 111.702 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -96.01 -18.1 20.48 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.896 -0.593 . . . . 1.0 111.413 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -109.62 137.67 47.1 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.166 0.508 . . . . 1.0 111.037 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -68.28 -35.83 78.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.327 -0.397 . . . . 1.0 111.195 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.16 -36.96 93.9 Favored Glycine 0 CA--C 1.519 0.32 0 N-CA-C 110.364 -1.094 . . . . 1.0 110.364 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.414 ' ND2' ' CD1' ' A' ' 27' ' ' PHE . 42.5 t-20 -63.17 -36.55 84.01 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.33 -0.619 . . . . 1.0 109.33 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.529 HD21 ' N ' ' A' ' 20' ' ' CYS . 0.2 OUTLIER -63.59 -39.83 95.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.04 -0.527 . . . . 1.0 109.662 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.51 -38.38 89.69 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 109.187 -0.672 . . . . 1.0 109.187 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.8 t -63.59 -43.19 97.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.195 0.521 . . . . 1.0 109.614 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -74.7 -34.23 62.58 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.772 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.6 tttm . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.041 0.448 . . . . 1.0 111.231 -179.344 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 . . . . . 0 N--CA 1.472 0.666 0 CA-C-O 121.31 0.576 . . . . 1.0 111.105 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 49.1 ptt85 -134.84 147.02 49.81 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.284 0.564 . . . . 1.0 110.004 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.453 ' SG ' ' HB3' ' A' ' 53' ' ' ALA . 0.5 OUTLIER -78.91 140.76 38.02 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 121.187 0.518 . . . . 1.0 111.118 -179.133 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -75.2 -9.71 58.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.953 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 75.4 mt -85.08 -66.06 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-O 120.907 0.384 . . . . 1.0 111.12 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.518 ' SG ' ' N ' ' A' ' 52' ' ' GLY . 28.9 p -94.74 -53.0 4.03 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 122.015 -0.428 . . . . 1.0 110.67 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.518 ' N ' ' SG ' ' A' ' 51' ' ' CYS . . . 120.75 20.73 3.41 Favored Glycine 0 N--CA 1.474 1.195 0 N-CA-C 111.992 -0.443 . . . . 1.0 111.992 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.453 ' HB3' ' SG ' ' A' ' 48' ' ' CYS . . . -51.62 -177.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 117.864 0.832 . . . . 1.0 111.439 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -146.01 138.51 25.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.012 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -149.62 137.74 20.5 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.843 0.83 . . . . 1.0 111.74 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -94.72 3.65 54.78 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.579 0.704 . . . . 1.0 110.051 179.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -143.07 142.37 21.66 Favored Pre-proline 0 N--CA 1.473 0.698 0 O-C-N 122.009 -0.432 . . . . 1.0 110.704 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.83 -31.99 14.84 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 121.706 1.604 . . . . 1.0 112.145 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.51 -47.36 84.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.349 . . . . 1.0 110.167 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 60.5 t-20 -64.06 -34.03 77.11 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.803 -0.443 . . . . 1.0 109.803 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.623 ' O ' HG23 ' A' ' 65' ' ' THR . 1.1 tt -61.94 -45.84 91.93 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.014 -0.736 . . . . 1.0 109.014 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.403 ' O ' ' OG1' ' A' ' 65' ' ' THR . 38.8 ttpt -61.5 -40.86 96.12 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.222 -0.659 . . . . 1.0 109.222 179.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 25.1 m -67.03 -26.08 66.6 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.878 -0.601 . . . . 1.0 109.719 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.401 ' C ' ' N ' ' A' ' 66' ' ' ARG . 28.2 t60 -82.97 -41.76 18.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.648 0.737 . . . . 1.0 109.281 179.075 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 61' ' ' LEU . 54.6 p -52.02 -18.17 1.3 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.382 0.61 . . . . 1.0 109.653 179.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.401 ' N ' ' C ' ' A' ' 64' ' ' HIS . 96.9 mtt180 . . . . . 0 CA--C 1.533 0.309 0 CA-C-N 115.645 -0.707 . . . . 1.0 110.189 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.0 mttt . . . . . 0 N--CA 1.468 0.453 0 N-CA-C 109.89 -0.411 . . . . 1.0 109.89 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -73.72 -14.0 24.45 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.165 1.91 . . . . 1.0 112.196 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.514 ' O ' ' O ' ' A' ' 27' ' ' PHE . 79.3 m-85 -105.71 109.63 21.65 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.009 0.433 . . . . 1.0 110.925 -179.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -142.23 152.59 43.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.152 0.501 . . . . 1.0 110.089 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.1 t -75.46 110.41 9.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.309 0.576 . . . . 1.0 111.253 -179.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 22' ' ' ARG . 47.2 p-10 -61.36 -32.65 72.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.56 0.695 . . . . 1.0 110.041 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.488 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 0.5 OUTLIER -67.79 -44.63 76.95 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.711 -0.618 . . . . 1.0 110.221 179.811 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 58.7 m -108.81 -141.63 0.38 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.982 0.42 . . . . 1.0 110.482 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -133.53 -21.83 1.97 Allowed 'General case' 0 N--CA 1.47 0.573 0 O-C-N 121.74 -0.6 . . . . 1.0 111.435 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.51 98.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.549 0.69 . . . . 1.0 111.787 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.3 m -73.39 141.35 46.99 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.887 -0.508 . . . . 1.0 110.957 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.558 ' CD1' ' ND2' ' A' ' 32' ' ' ASN . 70.3 m-85 -128.55 147.17 50.68 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-O 121.431 0.634 . . . . 1.0 111.92 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -96.26 -0.93 49.07 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.615 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -130.16 137.49 50.14 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.112 0.482 . . . . 1.0 111.099 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -67.74 -33.21 74.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.35 -0.386 . . . . 1.0 111.101 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -66.76 -36.51 91.31 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.134 -1.186 . . . . 1.0 110.134 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.558 ' ND2' ' CD1' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -64.51 -40.54 95.83 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.558 -0.534 . . . . 1.0 109.558 179.645 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 33' ' ' LEU . 0.6 OUTLIER -63.7 -44.5 93.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.461 0.648 . . . . 1.0 109.497 -179.666 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.37 -39.28 93.56 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.37 -0.604 . . . . 1.0 109.37 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.7 t -61.45 -43.26 99.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.371 0.605 . . . . 1.0 109.483 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -65.88 -35.01 79.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.812 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt . . . . . 0 C--N 1.33 -0.274 0 CA-C-O 121.024 0.44 . . . . 1.0 110.978 -179.224 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 . . . . . 0 N--CA 1.473 0.687 0 CA-C-O 121.381 0.61 . . . . 1.0 111.027 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.629 HH22 ' NE2' ' A' ' 54' ' ' GLN . 60.9 ttm-85 -139.64 136.86 34.76 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.243 0.544 . . . . 1.0 109.677 179.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.2 t -76.4 114.03 14.65 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.783 0.801 . . . . 1.0 110.884 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -63.63 -35.6 81.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.552 -0.749 . . . . 1.0 110.956 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 26.7 mt -62.48 -43.81 98.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.911 0.386 . . . . 1.0 111.032 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 23.8 m -113.83 -70.53 0.8 Allowed 'General case' 0 N--CA 1.474 0.731 0 O-C-N 122.06 -0.4 . . . . 1.0 110.681 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 140.62 12.27 0.59 Allowed Glycine 0 CA--C 1.531 1.076 0 N-CA-C 112.034 -0.426 . . . . 1.0 112.034 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.09 139.78 54.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 117.882 0.841 . . . . 1.0 111.581 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.629 ' NE2' HH22 ' A' ' 47' ' ' ARG . 77.9 mt-30 -92.94 142.95 26.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.126 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -132.28 138.29 47.8 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 121.984 0.897 . . . . 1.0 111.818 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -90.23 -13.49 35.32 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.587 0.708 . . . . 1.0 110.29 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 62.9 mtt85 -143.69 146.06 33.57 Favored Pre-proline 0 N--CA 1.475 0.793 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.657 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -68.55 -27.94 32.35 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 121.654 1.569 . . . . 1.0 111.917 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.25 -40.2 93.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 1.0 110.141 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -63.98 -38.21 90.23 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.902 -0.407 . . . . 1.0 109.902 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.21 -42.98 99.79 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.048 -0.723 . . . . 1.0 109.048 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.6 ttmm -54.11 -39.55 66.5 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.091 -0.707 . . . . 1.0 109.091 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.6 m -66.24 -35.28 80.0 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.832 -0.622 . . . . 1.0 109.646 179.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -73.63 -42.87 60.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.582 0.706 . . . . 1.0 109.732 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.3 p -55.77 -33.89 64.76 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.499 -0.556 . . . . 1.0 109.499 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 60.7 ttt85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.172 179.665 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? . . . . . 0 N--CA 1.473 0.724 0 N-CA-C 109.64 -0.504 . . . . 1.0 109.64 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -75.09 -14.12 21.04 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 121.809 1.673 . . . . 1.0 111.937 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.505 ' O ' ' O ' ' A' ' 27' ' ' PHE . 81.2 m-85 -114.09 103.28 10.97 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 121.574 0.702 . . . . 1.0 111.234 -179.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -141.02 152.08 44.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.516 0.674 . . . . 1.0 109.849 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.4 t -80.83 106.58 12.94 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.987 -0.446 . . . . 1.0 111.3 -179.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -63.31 -27.57 69.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.532 0.682 . . . . 1.0 109.967 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -69.08 -17.96 63.93 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 121.739 -0.601 . . . . 1.0 110.586 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 34.3 m -136.86 -172.99 3.31 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.334 0.587 . . . . 1.0 110.07 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -96.7 -15.99 21.14 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.815 -0.553 . . . . 1.0 111.758 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.13 150.65 20.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.707 0.765 . . . . 1.0 111.536 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.8 m -131.97 152.35 51.17 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.832 -0.543 . . . . 1.0 110.882 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.505 ' O ' ' O ' ' A' ' 18' ' ' TYR . 97.4 m-85 -143.83 150.71 38.91 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 121.363 0.601 . . . . 1.0 111.716 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.451 ' NH2' ' CE2' ' A' ' 29' ' ' TYR . 63.2 ttp85 -91.2 -17.44 26.04 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.929 -0.578 . . . . 1.0 111.042 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.451 ' CE2' ' NH2' ' A' ' 28' ' ' ARG . 17.5 m-85 -112.8 146.85 38.1 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-O 121.386 0.612 . . . . 1.0 111.242 -179.077 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -72.11 -35.12 69.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.293 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.71 -35.86 86.43 Favored Glycine 0 CA--C 1.518 0.278 0 N-CA-C 110.361 -1.095 . . . . 1.0 110.361 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -62.83 -38.98 92.91 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.17 -0.678 . . . . 1.0 109.17 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.459 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -60.88 -44.4 97.13 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.496 -0.557 . . . . 1.0 109.496 -179.65 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.05 -37.04 80.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.31 0.576 . . . . 1.0 109.53 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.4 t -60.73 -41.08 94.59 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.43 -0.581 . . . . 1.0 109.43 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 39.0 t60 -66.71 -41.54 87.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.574 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.5 tttp . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 121.053 0.454 . . . . 1.0 111.151 -178.874 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 . . . . . 0 N--CA 1.475 0.789 0 CA-C-O 121.424 0.631 . . . . 1.0 110.709 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -138.93 138.92 37.79 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.004 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.4 t -75.7 118.37 18.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.553 0.692 . . . . 1.0 110.988 -179.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -70.03 -26.57 64.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.827 -0.624 . . . . 1.0 111.015 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.652 ' N ' HD12 ' A' ' 50' ' ' ILE . 1.9 mp -62.76 -43.91 99.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.104 -178.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 52' ' ' GLY . 11.9 p -123.17 -61.86 1.38 Allowed 'General case' 0 N--CA 1.473 0.703 0 O-C-N 122.086 -0.383 . . . . 1.0 110.5 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.45 ' N ' ' SG ' ' A' ' 51' ' ' CYS . . . 144.38 6.54 0.53 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.99 -0.444 . . . . 1.0 111.99 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.83 137.99 58.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 117.76 0.78 . . . . 1.0 111.572 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -100.01 141.81 32.33 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.794 -0.639 . . . . 1.0 110.267 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -132.21 146.33 51.94 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 121.858 0.837 . . . . 1.0 111.78 -179.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -92.77 -9.68 39.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.366 0.603 . . . . 1.0 109.886 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 -144.33 144.66 26.39 Favored Pre-proline 0 CA--C 1.542 0.666 0 O-C-N 122.083 -0.385 . . . . 1.0 110.885 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.91 -28.85 35.41 Favored 'Trans proline' 0 N--CA 1.5 1.871 0 C-N-CA 121.846 1.697 . . . . 1.0 111.972 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.96 -45.47 86.65 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.022 -0.362 . . . . 1.0 110.022 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -63.85 -35.54 80.96 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.916 -0.402 . . . . 1.0 109.916 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.771 ' O ' HG23 ' A' ' 65' ' ' THR . 0.9 OUTLIER -62.65 -45.21 93.87 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.256 -0.646 . . . . 1.0 109.256 -179.703 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -61.6 -41.35 97.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.566 0.698 . . . . 1.0 109.418 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 97.9 m -68.09 -27.15 66.23 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.684 -0.689 . . . . 1.0 109.79 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -81.5 -38.53 26.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.628 0.728 . . . . 1.0 109.431 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.771 HG23 ' O ' ' A' ' 61' ' ' LEU . 77.4 p -58.1 -30.43 66.26 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.429 -0.582 . . . . 1.0 109.429 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 . . . . . 0 N--CA 1.452 -0.353 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.261 178.876 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt . . . . . 0 N--CA 1.471 0.599 0 N-CA-C 109.855 -0.424 . . . . 1.0 109.855 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -73.73 -17.94 22.58 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.05 1.833 . . . . 1.0 112.31 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.539 ' O ' ' O ' ' A' ' 27' ' ' PHE . 95.7 m-85 -96.09 107.4 19.71 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 121.297 0.57 . . . . 1.0 110.759 -179.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -140.48 152.04 45.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.448 0.642 . . . . 1.0 109.691 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.6 t -81.01 99.89 8.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.199 0.523 . . . . 1.0 111.126 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -57.74 -31.97 66.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.666 0.746 . . . . 1.0 109.894 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -69.26 -19.88 63.93 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.707 -0.62 . . . . 1.0 110.424 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 84.0 m -133.49 -163.46 1.36 Allowed 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.462 0.649 . . . . 1.0 110.038 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.56 ' CD ' ' H ' ' A' ' 24' ' ' GLN . 3.0 pm0 -110.03 -3.17 16.63 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 121.715 -0.615 . . . . 1.0 111.489 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.24 145.02 54.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.665 0.745 . . . . 1.0 111.427 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.5 p -118.47 141.94 48.07 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.898 -0.501 . . . . 1.0 110.915 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.539 ' O ' ' O ' ' A' ' 18' ' ' TYR . 95.9 m-85 -132.47 150.06 52.22 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 121.555 0.693 . . . . 1.0 111.995 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -95.8 -20.1 19.11 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.651 -0.704 . . . . 1.0 111.213 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.42 ' N ' ' CD1' ' A' ' 29' ' ' TYR . 44.8 m-85 -114.83 145.27 42.33 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 121.39 0.614 . . . . 1.0 111.066 -179.029 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -66.85 -38.24 86.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.502 . . . . 1.0 111.05 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.27 -37.03 94.23 Favored Glycine 0 CA--C 1.518 0.268 0 N-CA-C 110.267 -1.133 . . . . 1.0 110.267 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -62.8 -39.47 94.36 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.379 -0.6 . . . . 1.0 109.379 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.422 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -64.01 -43.99 93.97 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 121.45 0.643 . . . . 1.0 109.576 -179.803 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.44 -36.28 78.81 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.44 -0.578 . . . . 1.0 109.44 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.3 t -58.66 -42.07 87.56 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.313 -0.625 . . . . 1.0 109.313 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -66.62 -35.69 80.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.409 -0.36 . . . . 1.0 110.76 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.0 tptt . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 121.146 0.498 . . . . 1.0 111.239 -179.377 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 . . . . . 0 N--CA 1.475 0.794 0 CA-C-O 121.489 0.662 . . . . 1.0 111.114 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -137.85 124.81 21.32 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.452 0.644 . . . . 1.0 109.906 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.88 110.36 8.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.508 0.67 . . . . 1.0 111.066 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 41.7 p-10 -72.6 -25.03 61.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.976 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.1 mp -62.62 -47.98 90.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 1.0 111.513 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.504 ' SG ' ' N ' ' A' ' 52' ' ' GLY . 26.3 p -115.58 -57.07 2.28 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 122.074 -0.392 . . . . 1.0 110.606 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.504 ' N ' ' SG ' ' A' ' 51' ' ' CYS . . . 143.78 -3.38 1.54 Allowed Glycine 0 N--CA 1.47 0.946 0 N-CA-C 112.126 -0.39 . . . . 1.0 112.126 179.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.22 173.45 0.07 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.719 0.771 . . . . 1.0 111.667 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -137.59 145.38 42.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.735 -0.666 . . . . 1.0 110.148 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -150.86 152.53 33.84 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.912 0.863 . . . . 1.0 111.719 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -98.28 2.07 47.81 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.519 0.676 . . . . 1.0 109.983 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -140.82 139.91 20.75 Favored Pre-proline 0 N--CA 1.478 0.935 0 O-C-N 121.988 -0.445 . . . . 1.0 110.931 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.69 -33.39 8.3 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 121.466 1.444 . . . . 1.0 112.138 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.89 -45.45 92.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.965 0.412 . . . . 1.0 110.073 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.1 t-20 -63.44 -27.3 69.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.14 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.824 ' O ' HG23 ' A' ' 65' ' ' THR . 1.2 tt -61.4 -48.96 78.81 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.076 -0.712 . . . . 1.0 109.076 -179.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -63.62 -43.5 96.65 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.195 -0.668 . . . . 1.0 109.195 179.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 10.7 m -63.37 -34.46 77.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.925 -0.58 . . . . 1.0 109.62 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.439 ' C ' ' N ' ' A' ' 66' ' ' ARG . 1.5 t60 -72.43 -50.02 29.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.767 0.794 . . . . 1.0 109.14 179.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.824 HG23 ' O ' ' A' ' 61' ' ' LEU . 81.9 p -48.57 -18.14 0.22 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.952 0.882 . . . . 1.0 109.941 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.439 ' N ' ' C ' ' A' ' 64' ' ' HIS . 59.4 ttp180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 115.109 -0.95 . . . . 1.0 110.414 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 96.7 mttt . . . . . 0 N--CA 1.471 0.61 0 N-CA-C 109.536 -0.542 . . . . 1.0 109.536 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -77.37 -11.25 17.44 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.239 1.959 . . . . 1.0 112.063 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.511 ' O ' ' O ' ' A' ' 27' ' ' PHE . 68.2 m-85 -116.56 104.71 11.68 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.418 0.628 . . . . 1.0 110.956 -179.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -141.76 153.48 44.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.438 0.637 . . . . 1.0 109.826 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.6 t -76.58 111.2 11.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.972 0.415 . . . . 1.0 111.315 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' A' ' 22' ' ' ARG . 48.0 p-10 -66.11 -31.99 73.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.464 0.649 . . . . 1.0 109.955 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.451 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 75.2 ttt180 -68.0 -41.88 81.61 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.68 -0.638 . . . . 1.0 110.428 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 72.0 m -107.18 -171.56 1.91 Allowed 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.365 0.603 . . . . 1.0 110.128 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -99.66 -20.21 16.42 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.749 -0.595 . . . . 1.0 111.442 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.46 160.22 0.88 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.608 0.718 . . . . 1.0 111.494 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.5 t -139.64 145.78 38.9 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.919 -0.488 . . . . 1.0 110.719 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.511 ' O ' ' O ' ' A' ' 18' ' ' TYR . 98.9 m-85 -132.47 153.43 50.89 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 121.41 0.624 . . . . 1.0 111.828 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 91.2 mtm180 -96.27 -3.66 43.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.826 -0.624 . . . . 1.0 110.989 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -131.92 146.59 52.2 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 121.417 0.627 . . . . 1.0 111.036 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -70.41 -35.36 73.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.96 -0.563 . . . . 1.0 111.363 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.44 -37.83 94.21 Favored Glycine 0 CA--C 1.517 0.198 0 N-CA-C 110.192 -1.163 . . . . 1.0 110.192 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -63.43 -39.19 93.82 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.338 -0.616 . . . . 1.0 109.338 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.473 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -61.84 -43.51 98.71 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.469 -0.567 . . . . 1.0 109.469 -179.901 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.75 -37.18 81.79 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 109.395 -0.594 . . . . 1.0 109.395 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.1 t -61.55 -39.24 90.37 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.195 0.521 . . . . 1.0 109.641 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -66.36 -35.45 80.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.862 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.1 pttp . . . . . 0 N--CA 1.468 0.463 0 CA-C-O 121.573 0.701 . . . . 1.0 111.56 -179.22 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 . . . . . 0 N--CA 1.475 0.817 0 CA-C-O 121.589 0.709 . . . . 1.0 111.081 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -139.32 140.38 37.54 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.882 -0.599 . . . . 1.0 109.868 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.0 t -79.17 114.64 18.27 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.511 0.672 . . . . 1.0 110.923 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 -65.73 -33.39 75.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.821 -0.627 . . . . 1.0 111.174 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 30.9 mt -63.45 -43.19 98.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-O 121.03 0.443 . . . . 1.0 111.066 -179.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 16.3 m -115.76 -70.54 0.79 Allowed 'General case' 0 N--CA 1.475 0.815 0 O-C-N 122.019 -0.425 . . . . 1.0 110.472 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.467 ' O ' ' NE2' ' A' ' 54' ' ' GLN . . . 143.05 12.84 0.36 Allowed Glycine 0 CA--C 1.531 1.064 0 N-CA-C 112.041 -0.424 . . . . 1.0 112.041 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.2 137.89 51.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 117.827 0.813 . . . . 1.0 111.642 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.467 ' NE2' ' O ' ' A' ' 52' ' ' GLY . 21.3 mp0 -92.99 144.34 25.35 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.958 -0.564 . . . . 1.0 110.101 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -134.76 140.37 45.86 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 121.77 0.795 . . . . 1.0 111.905 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -92.07 3.21 55.76 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.556 0.693 . . . . 1.0 109.909 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.613 HH11 HD21 ' A' ' 60' ' ' ASN . 7.3 ptp85 -166.8 147.76 5.26 Favored Pre-proline 0 CA--C 1.543 0.694 0 O-C-N 122.006 -0.434 . . . . 1.0 110.508 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.82 -27.26 44.11 Favored 'Trans proline' 0 N--CA 1.497 1.729 0 C-N-CA 122.186 1.924 . . . . 1.0 111.925 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.22 -46.73 79.38 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 110.111 -0.329 . . . . 1.0 110.111 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.613 HD21 HH11 ' A' ' 57' ' ' ARG . 98.2 m-20 -65.54 -38.78 90.59 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.938 -0.393 . . . . 1.0 109.938 179.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 64' ' ' HIS . 1.3 tt -63.56 -49.36 73.74 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.034 -0.728 . . . . 1.0 109.034 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -45.45 -43.1 11.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.683 0.754 . . . . 1.0 109.676 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.2 m -63.51 -37.51 87.6 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.646 -0.706 . . . . 1.0 109.518 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.457 ' N ' ' O ' ' A' ' 61' ' ' LEU . 79.7 t60 -71.39 -39.55 71.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.799 0.809 . . . . 1.0 109.542 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 61' ' ' LEU . 72.1 p -60.91 -33.15 72.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.901 -0.591 . . . . 1.0 109.42 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.173 179.62 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.646 0 N-CA-C 109.504 -0.554 . . . . 1.0 109.504 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -77.42 -17.27 14.72 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.116 1.877 . . . . 1.0 112.017 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.461 ' O ' ' O ' ' A' ' 27' ' ' PHE . 91.8 m-85 -105.79 111.32 23.94 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 121.606 0.717 . . . . 1.0 111.004 -179.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -142.09 141.0 32.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.642 0.734 . . . . 1.0 109.789 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.46 ' N ' HD21 ' A' ' 33' ' ' LEU . 12.4 t -67.97 112.67 5.11 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.067 0.461 . . . . 1.0 110.97 -178.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' A' ' 22' ' ' ARG . 33.6 p30 -66.19 -32.97 74.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.574 0.702 . . . . 1.0 110.008 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.505 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 8.1 tpm_? -67.66 -21.77 65.34 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.652 -0.655 . . . . 1.0 110.654 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 74.3 m -126.63 -174.67 3.19 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.493 0.663 . . . . 1.0 109.942 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -104.9 1.07 28.54 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.788 -0.57 . . . . 1.0 111.434 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.07 -178.09 0.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.455 0.645 . . . . 1.0 111.46 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.414 ' C ' ' CD1' ' A' ' 27' ' ' PHE . 35.7 p -149.39 156.12 41.55 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.911 -0.493 . . . . 1.0 110.73 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.461 ' O ' ' O ' ' A' ' 18' ' ' TYR . 96.5 m-85 -151.48 152.55 33.16 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.35 0.595 . . . . 1.0 111.544 -179.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -95.8 -19.21 19.79 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.925 -0.579 . . . . 1.0 111.213 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -118.02 138.91 51.89 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 121.246 0.546 . . . . 1.0 111.273 -179.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -67.22 -34.98 78.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.937 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.7 -34.86 90.08 Favored Glycine 0 CA--C 1.518 0.229 0 N-CA-C 110.317 -1.113 . . . . 1.0 110.317 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -63.33 -38.24 90.4 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 108.869 -0.789 . . . . 1.0 108.869 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.534 ' O ' HD13 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -62.66 -42.36 99.58 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.775 -0.454 . . . . 1.0 109.775 -179.899 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.84 90.18 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 109.235 -0.654 . . . . 1.0 109.235 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 55.7 m -62.74 -43.6 98.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.281 0.563 . . . . 1.0 109.762 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -72.83 -34.91 67.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.692 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.4 tttp . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 121.072 0.463 . . . . 1.0 111.201 -179.211 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 . . . . . 0 N--CA 1.472 0.664 0 CA-C-O 121.418 0.628 . . . . 1.0 110.95 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.524 HH21 ' NE2' ' A' ' 54' ' ' GLN . 42.6 ttm180 -139.32 140.68 37.63 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.976 -0.556 . . . . 1.0 109.75 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 20.0 t -79.8 111.61 16.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.582 0.706 . . . . 1.0 111.025 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -64.99 -35.48 81.33 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.716 -0.674 . . . . 1.0 110.87 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.66 ' N ' HD12 ' A' ' 50' ' ' ILE . 3.0 mp -63.6 -43.52 98.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.046 0.45 . . . . 1.0 111.081 -178.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 56.1 m -111.36 -69.66 0.86 Allowed 'General case' 0 N--CA 1.471 0.6 0 O-C-N 122.045 -0.41 . . . . 1.0 110.47 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 141.9 6.55 0.79 Allowed Glycine 0 CA--C 1.528 0.862 0 N-CA-C 111.978 -0.449 . . . . 1.0 111.978 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.71 141.38 55.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 117.833 0.817 . . . . 1.0 111.771 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.524 ' NE2' HH21 ' A' ' 47' ' ' ARG . 88.9 mt-30 -99.07 145.33 27.23 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.232 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -132.99 147.52 52.28 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 122.084 0.945 . . . . 1.0 111.703 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -93.25 -14.64 26.79 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.699 -0.682 . . . . 1.0 109.915 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -141.25 146.14 41.47 Favored Pre-proline 0 N--CA 1.474 0.731 0 O-C-N 122.061 -0.4 . . . . 1.0 110.867 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -69.14 -28.99 27.56 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.057 1.838 . . . . 1.0 112.015 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.53 -42.42 92.26 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 110.051 -0.351 . . . . 1.0 110.051 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -63.25 -42.98 99.25 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.961 -0.385 . . . . 1.0 109.961 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 64' ' ' HIS . 1.6 tt -66.45 -45.22 80.51 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.083 -0.71 . . . . 1.0 109.083 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -47.87 -41.1 23.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.623 0.725 . . . . 1.0 109.251 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 93.3 m -66.76 -32.42 73.7 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.723 -0.671 . . . . 1.0 109.735 178.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 61' ' ' LEU . 79.1 t60 -74.9 -38.68 61.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.727 0.775 . . . . 1.0 109.408 179.318 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 61.0 p -60.22 -32.93 71.57 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.352 -0.61 . . . . 1.0 109.352 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.231 179.426 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt . . . . . 0 N--CA 1.469 0.518 0 N-CA-C 110.054 -0.35 . . . . 1.0 110.054 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -79.11 -15.17 13.07 Favored 'Trans proline' 0 C--N 1.304 -1.794 0 C-N-CA 122.24 1.96 . . . . 1.0 112.085 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.437 ' O ' ' O ' ' A' ' 27' ' ' PHE . 78.7 m-85 -109.75 113.06 25.5 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.246 0.546 . . . . 1.0 110.745 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -140.65 144.06 35.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.655 0.741 . . . . 1.0 109.783 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.408 ' N ' HD21 ' A' ' 33' ' ' LEU . 11.2 t -72.78 111.99 8.42 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 121.296 0.57 . . . . 1.0 110.943 -178.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -64.52 -18.78 65.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.747 0.784 . . . . 1.0 110.079 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -66.55 -35.58 80.58 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 121.687 -0.633 . . . . 1.0 110.405 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.8 p -135.84 -168.97 2.31 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.43 0.633 . . . . 1.0 109.899 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -89.37 -3.07 58.6 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.788 -0.57 . . . . 1.0 111.628 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.96 156.52 3.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.816 0.817 . . . . 1.0 111.572 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.9 p -134.85 154.33 51.69 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 121.862 -0.523 . . . . 1.0 110.786 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.437 ' O ' ' O ' ' A' ' 18' ' ' TYR . 95.6 m-85 -150.43 147.96 28.18 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 121.419 0.628 . . . . 1.0 111.554 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -95.97 -1.14 49.67 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.893 -0.594 . . . . 1.0 111.192 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -134.85 135.3 41.58 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.02 0.438 . . . . 1.0 111.091 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -66.88 -34.31 77.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.512 -0.313 . . . . 1.0 110.925 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.36 -35.81 91.91 Favored Glycine 0 CA--C 1.52 0.352 0 N-CA-C 110.461 -1.056 . . . . 1.0 110.461 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -63.49 -40.6 97.51 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.039 -0.726 . . . . 1.0 109.039 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.486 ' O ' HD13 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -62.63 -41.72 99.18 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.662 -0.495 . . . . 1.0 109.662 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.93 -39.1 88.15 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 109.153 -0.684 . . . . 1.0 109.153 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.9 t -67.15 -45.59 76.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.238 0.542 . . . . 1.0 109.942 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 59.8 t60 -67.56 -41.12 84.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.96 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.7 ttpp . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.151 0.5 . . . . 1.0 111.241 -179.221 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 . . . . . 0 N--CA 1.471 0.614 0 CA-C-O 121.371 0.605 . . . . 1.0 110.801 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -138.56 144.59 39.93 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.974 -0.557 . . . . 1.0 109.795 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 19.7 t -81.17 113.95 19.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.605 0.717 . . . . 1.0 110.951 -179.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -63.93 -37.24 86.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.728 -0.669 . . . . 1.0 110.654 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.678 ' H ' HD12 ' A' ' 50' ' ' ILE . 3.1 mp -63.76 -43.81 98.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.057 0.456 . . . . 1.0 110.846 -178.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 59.3 m -109.21 -71.93 0.74 Allowed 'General case' 0 N--CA 1.474 0.745 0 O-C-N 122.038 -0.414 . . . . 1.0 110.641 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.463 ' O ' ' NE2' ' A' ' 54' ' ' GLN . . . 140.08 8.2 0.9 Allowed Glycine 0 CA--C 1.529 0.944 0 N-CA-C 112.051 -0.42 . . . . 1.0 112.051 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.13 139.87 54.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 117.932 0.866 . . . . 1.0 111.52 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.463 ' NE2' ' O ' ' A' ' 52' ' ' GLY . 17.2 mp0 -93.98 145.53 24.58 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.233 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -131.97 148.87 52.54 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 122.157 0.98 . . . . 1.0 111.72 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -94.46 -14.63 25.0 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.632 0.73 . . . . 1.0 110.102 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 64.3 mtp85 -146.26 146.81 29.16 Favored Pre-proline 0 N--CA 1.472 0.663 0 O-C-N 121.993 -0.442 . . . . 1.0 110.643 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -68.31 -26.65 35.2 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 121.711 1.608 . . . . 1.0 111.994 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.73 -42.23 96.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.929 0.395 . . . . 1.0 110.115 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -64.37 -40.89 96.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.17 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 64' ' ' HIS . 1.6 tt -65.2 -45.88 82.96 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.917 -0.771 . . . . 1.0 108.917 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -48.55 -40.39 26.9 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.225 -0.657 . . . . 1.0 109.225 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 16.4 m -65.57 -34.53 78.46 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.497 -0.557 . . . . 1.0 109.497 178.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 61' ' ' LEU . 86.4 t60 -75.09 -37.2 61.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.39 0.614 . . . . 1.0 109.685 179.184 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 80.3 p -61.15 -32.77 72.48 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.278 -0.638 . . . . 1.0 109.278 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.622 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.001 -0.74 . . . . 1.0 109.001 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.8 t -150.7 154.83 38.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.98 0.419 . . . . 1.0 110.137 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -75.55 128.43 35.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.543 0.687 . . . . 1.0 110.705 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.6 t -168.39 106.01 0.47 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.09 0.472 . . . . 1.0 111.231 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -148.05 20.7 1.11 Allowed 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.876 -0.515 . . . . 1.0 111.166 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.56 79.07 69.9 Favored Pre-proline 0 N--CA 1.474 0.769 0 C-N-CA 123.342 0.657 . . . . 1.0 109.819 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -61.78 -20.99 71.17 Favored 'Trans proline' 0 N--CA 1.498 1.761 0 C-N-CA 122.186 1.924 . . . . 1.0 112.025 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.455 ' O ' ' O ' ' A' ' 27' ' ' PHE . 61.6 m-85 -118.9 82.33 1.84 Allowed 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 121.568 0.699 . . . . 1.0 110.959 -179.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.08 152.18 44.7 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.545 0.688 . . . . 1.0 109.758 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.6 t -71.15 106.34 3.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.039 0.447 . . . . 1.0 111.18 -179.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -76.76 49.03 0.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.87 0.843 . . . . 1.0 109.998 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 83.6 mtt85 -142.22 -32.39 0.51 Allowed 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.687 -0.633 . . . . 1.0 110.366 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.7 p -139.72 -173.29 3.59 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.439 0.638 . . . . 1.0 109.908 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -67.21 -33.31 75.09 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.831 -0.543 . . . . 1.0 111.874 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -41.19 142.89 0.47 Allowed 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.43 0.633 . . . . 1.0 111.897 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.9 m -149.58 151.08 33.22 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.953 -0.467 . . . . 1.0 110.748 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.556 ' CD1' ' ND2' ' A' ' 32' ' ' ASN . 96.0 m-85 -148.49 157.62 43.58 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.332 0.587 . . . . 1.0 111.742 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -97.92 -5.83 33.54 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.906 -0.588 . . . . 1.0 111.154 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -118.92 146.52 44.88 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 121.395 0.617 . . . . 1.0 111.297 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.476 ' HD3' ' H ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -74.81 -38.59 62.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.905 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.67 -38.53 95.78 Favored Glycine 0 C--N 1.329 0.165 0 N-CA-C 110.169 -1.173 . . . . 1.0 110.169 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.556 ' ND2' ' CD1' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -63.94 -38.42 91.03 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.456 -0.572 . . . . 1.0 109.456 179.524 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.444 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -62.93 -44.19 96.75 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.538 -0.541 . . . . 1.0 109.538 -179.824 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.34 -39.41 93.0 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.438 -0.578 . . . . 1.0 109.438 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.7 t -62.34 -42.93 99.79 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.348 0.594 . . . . 1.0 109.481 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 72.5 t60 -66.93 -33.74 76.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.633 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -60.55 -27.87 68.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.919 0.39 . . . . 1.0 111.048 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.8 p -62.73 -24.84 67.89 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.587 -0.696 . . . . 1.0 110.832 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.8 t -63.21 -44.33 99.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 O-C-N 123.531 0.519 . . . . 1.0 112.281 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -65.61 -35.19 80.11 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.862 -0.524 . . . . 1.0 111.97 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 70.5 p 50.64 78.07 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.623 -0.673 . . . . 1.0 111.453 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 165.58 75.62 0.03 OUTLIER Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.79 -0.924 . . . . 1.0 110.79 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 57.2 tt0 -75.95 42.4 0.24 Allowed 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.192 0.52 . . . . 1.0 111.008 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.47 71.89 51.75 Favored Pre-proline 0 N--CA 1.473 0.717 0 O-C-N 122.012 -0.43 . . . . 1.0 110.53 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -52.0 -43.02 55.28 Favored 'Trans proline' 0 N--CA 1.499 1.822 0 C-N-CA 122.705 2.27 . . . . 1.0 113.189 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -139.03 136.38 35.25 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.192 0.52 . . . . 1.0 110.978 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 78.1 ttt-85 -137.98 130.26 29.07 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.191 0.52 . . . . 1.0 109.672 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.411 ' O ' ' N ' ' A' ' 52' ' ' GLY . 20.9 t -80.05 108.77 13.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.215 0.531 . . . . 1.0 110.962 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -64.05 -32.73 74.39 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 116.164 -0.471 . . . . 1.0 111.234 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 28.0 mt -63.04 -47.87 90.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.077 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 36.0 m -105.66 -58.8 1.85 Allowed 'General case' 0 N--CA 1.476 0.825 0 O-C-N 121.983 -0.448 . . . . 1.0 110.524 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 48' ' ' CYS . . . 127.59 10.64 3.56 Favored Glycine 0 N--CA 1.475 1.274 0 N-CA-C 112.141 -0.384 . . . . 1.0 112.141 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.07 138.83 42.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 117.827 0.814 . . . . 1.0 111.417 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -101.23 135.4 42.77 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.113 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -132.42 143.74 50.02 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 122.346 1.07 . . . . 1.0 111.592 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 53.6 p-10 -102.08 -2.01 30.39 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.453 -0.794 . . . . 1.0 110.08 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -135.28 136.11 23.85 Favored Pre-proline 0 N--CA 1.479 0.982 0 O-C-N 121.983 -0.448 . . . . 1.0 111.044 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.27 -23.92 27.94 Favored 'Trans proline' 0 C--N 1.304 -1.814 0 C-N-CA 121.689 1.593 . . . . 1.0 112.008 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.48 -51.4 69.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.035 0.445 . . . . 1.0 110.152 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -63.17 -38.76 92.46 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.944 -0.391 . . . . 1.0 109.944 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.824 ' O ' HG23 ' A' ' 65' ' ' THR . 0.2 OUTLIER -64.02 -42.39 97.14 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.405 -0.591 . . . . 1.0 109.405 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -59.06 -46.55 87.97 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 108.969 -0.752 . . . . 1.0 108.969 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.1 p -66.32 -31.24 71.91 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.541 -0.54 . . . . 1.0 109.541 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -71.19 -39.8 71.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.743 0.782 . . . . 1.0 109.247 179.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.824 HG23 ' O ' ' A' ' 61' ' ' LEU . 50.0 p -62.39 -18.13 60.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.488 0.661 . . . . 1.0 109.554 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 73.4 ttp85 -49.15 -45.64 44.09 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.597 -0.729 . . . . 1.0 110.383 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.1 pt -69.74 -40.71 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-O 121.228 0.537 . . . . 1.0 110.288 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -74.2 -15.81 60.99 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.958 -0.464 . . . . 1.0 110.323 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 65' ' ' THR . 12.6 t -57.13 90.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.226 0.536 . . . . 1.0 110.196 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -90.83 99.71 2.6 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.984 -0.846 . . . . 1.0 110.984 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -167.74 1.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.0 0.429 . . . . 1.0 110.528 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -165.98 72.8 1.26 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.032 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.7 -37.47 83.98 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.732 2.288 . . . . 1.0 112.7 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 64.6 t80 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.894 -1.05 . . . . 1.0 110.085 -179.323 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 80.0 mtp . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 109.269 -0.641 . . . . 1.0 109.269 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.5 m -62.71 129.25 39.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.833 0.349 . . . . 1.0 110.411 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 46.6 p-80 -74.5 -40.47 61.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.959 0.409 . . . . 1.0 111.053 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 97.3 p -72.69 110.16 6.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.639 0.733 . . . . 1.0 111.227 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -81.6 36.85 0.45 Allowed 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.865 -0.522 . . . . 1.0 110.767 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -130.2 69.86 82.05 Favored Pre-proline 0 N--CA 1.47 0.544 0 C-N-CA 123.45 0.7 . . . . 1.0 109.827 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.49 -12.6 20.57 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 121.962 1.775 . . . . 1.0 112.203 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.54 ' O ' ' O ' ' A' ' 27' ' ' PHE . 93.1 m-85 -103.91 101.67 11.46 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.11 0.481 . . . . 1.0 111.022 -179.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.8 pttt -141.26 151.35 43.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.359 0.6 . . . . 1.0 110.031 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.1 t -78.67 108.71 12.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.172 0.51 . . . . 1.0 111.463 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -63.65 -33.41 75.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.331 0.586 . . . . 1.0 109.93 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -67.47 -14.78 63.23 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.703 -0.623 . . . . 1.0 110.341 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 60.2 m -137.82 -168.26 2.3 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.379 0.609 . . . . 1.0 110.067 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -100.57 -26.75 13.72 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.822 -0.549 . . . . 1.0 111.481 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.18 157.11 0.09 Allowed 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.517 0.675 . . . . 1.0 111.678 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.8 t -137.26 147.23 45.59 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.944 -0.472 . . . . 1.0 110.774 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.54 ' O ' ' O ' ' A' ' 18' ' ' TYR . 97.7 m-85 -140.34 154.95 46.93 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 121.417 0.627 . . . . 1.0 111.776 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -96.4 -22.41 17.18 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.923 -0.58 . . . . 1.0 111.13 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.43 ' N ' ' CD1' ' A' ' 29' ' ' TYR . 39.1 m-85 -111.15 141.95 43.98 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 121.292 0.568 . . . . 1.0 111.073 -179.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -64.99 -38.3 90.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.961 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.44 -38.45 96.32 Favored Glycine 0 CA--C 1.52 0.394 0 N-CA-C 110.482 -1.047 . . . . 1.0 110.482 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -63.23 -38.93 93.11 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.507 -0.553 . . . . 1.0 109.507 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.456 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -62.28 -45.09 94.81 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.272 -0.64 . . . . 1.0 109.272 -179.833 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.82 -36.7 82.97 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.235 -0.654 . . . . 1.0 109.235 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.8 t -62.9 -41.72 99.53 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.413 -0.588 . . . . 1.0 109.413 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -59.39 -39.89 84.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.542 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -59.36 -35.48 73.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.801 0.334 . . . . 1.0 111.124 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 34.5 p -50.92 -26.96 6.57 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.492 -0.755 . . . . 1.0 111.047 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.8 t -67.69 -44.46 85.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 112.473 0.546 . . . . 1.0 112.473 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 35.3 p80 -125.37 38.95 4.07 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 122.999 0.52 . . . . 1.0 112.219 -178.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 81.5 p -37.13 -47.12 0.74 Allowed 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.635 -0.665 . . . . 1.0 111.968 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -178.67 65.73 0.08 OUTLIER Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.603 -0.999 . . . . 1.0 110.603 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -69.17 -36.56 77.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.691 0.281 . . . . 1.0 111.037 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 66.3 mttm 56.22 71.92 1.1 Allowed Pre-proline 0 C--N 1.33 -0.279 0 O-C-N 121.929 -0.482 . . . . 1.0 110.323 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -50.18 -55.97 3.58 Favored 'Trans proline' 0 N--CA 1.499 1.835 0 C-N-CA 122.658 2.238 . . . . 1.0 113.243 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -145.11 141.45 28.81 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.272 0.558 . . . . 1.0 110.891 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.491 HH22 HE21 ' A' ' 54' ' ' GLN . 62.4 ttm-85 -139.5 135.23 33.28 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.148 -0.478 . . . . 1.0 109.857 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 52' ' ' GLY . 18.3 t -78.38 109.27 12.39 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.604 0.716 . . . . 1.0 111.078 -179.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -60.25 -38.18 82.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.773 -0.648 . . . . 1.0 110.861 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 17.9 mt -62.11 -45.38 98.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.149 0.5 . . . . 1.0 111.067 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 73.5 m -103.34 -66.44 0.94 Allowed 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.958 -0.464 . . . . 1.0 110.65 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 48' ' ' CYS . . . 121.31 31.67 1.14 Allowed Glycine 0 N--CA 1.474 1.167 0 N-CA-C 111.976 -0.45 . . . . 1.0 111.976 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.34 152.93 19.51 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 117.803 0.802 . . . . 1.0 111.308 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.491 HE21 HH22 ' A' ' 47' ' ' ARG . 88.5 mt-30 -94.23 140.77 29.35 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.173 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -133.26 149.03 51.98 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 122.138 0.97 . . . . 1.0 111.737 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -108.45 -6.1 16.31 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 115.632 -0.713 . . . . 1.0 110.306 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.568 HH21 HD21 ' A' ' 60' ' ' ASN . 51.7 mtm180 -145.13 143.29 19.98 Favored Pre-proline 0 N--CA 1.477 0.889 0 CA-C-O 119.19 -0.433 . . . . 1.0 110.861 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -70.15 -23.73 28.7 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 121.779 1.653 . . . . 1.0 111.932 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.92 -30.18 71.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.165 0.507 . . . . 1.0 110.191 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.568 HD21 HH21 ' A' ' 57' ' ' ARG . 10.3 m120 -66.69 -33.27 75.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.22 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.517 HD22 ' N ' ' A' ' 61' ' ' LEU . 3.3 mm? -63.41 -41.05 98.71 Favored 'General case' 0 CA--C 1.51 -0.593 0 N-CA-C 109.275 -0.639 . . . . 1.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -60.29 -42.98 96.6 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-O 121.896 0.855 . . . . 1.0 109.274 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 19.3 m -70.83 -43.72 67.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.375 -0.83 . . . . 1.0 110.104 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -64.14 -45.56 87.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.464 -0.789 . . . . 1.0 109.601 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.509 ' O ' ' N ' ' A' ' 69' ' ' SER . 2.0 p -52.06 -42.02 62.81 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 119.976 -0.69 . . . . 1.0 109.684 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 62.9 ttt-85 -40.62 -29.78 0.1 Allowed 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.159 0.504 . . . . 1.0 110.854 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 77.3 mt -66.83 -44.78 88.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.234 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.443 ' N ' ' O ' ' A' ' 65' ' ' THR . 6.1 p80 -124.77 30.22 6.0 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 121.961 -0.462 . . . . 1.0 110.612 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 65' ' ' THR . 10.8 t -59.88 -43.08 94.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.002 0.429 . . . . 1.0 110.507 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -165.28 -31.37 0.02 OUTLIER Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.721 -0.952 . . . . 1.0 110.721 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -65.06 135.89 56.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.239 0.542 . . . . 1.0 110.556 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.3 pttm -72.87 149.87 90.32 Favored Pre-proline 0 CA--C 1.543 0.682 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.624 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -65.92 149.45 86.36 Favored 'Trans proline' 0 N--CA 1.502 1.976 0 C-N-CA 121.95 1.766 . . . . 1.0 112.731 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.402 ' CD2' ' OXT' ' A' ' 74' ' ' TYR . 69.2 t80 . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 118.136 -0.935 . . . . 1.0 110.821 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 108.977 -0.749 . . . . 1.0 108.977 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.0 t -77.49 160.93 28.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.445 -0.343 . . . . 1.0 110.097 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -68.71 146.25 53.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.603 0.716 . . . . 1.0 110.514 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 62.0 m -138.94 150.69 46.19 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.455 0.645 . . . . 1.0 110.941 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -74.48 -5.25 41.52 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.907 -0.495 . . . . 1.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -112.56 83.01 5.17 Favored Pre-proline 0 N--CA 1.474 0.746 0 C-N-CA 123.241 0.616 . . . . 1.0 109.82 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -75.69 -10.69 20.18 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 121.746 1.63 . . . . 1.0 111.988 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.487 ' O ' ' O ' ' A' ' 27' ' ' PHE . 86.7 m-85 -112.11 102.48 10.68 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 121.548 0.69 . . . . 1.0 111.168 -179.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -140.94 152.53 45.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.573 0.701 . . . . 1.0 109.729 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.6 t -78.78 108.23 12.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.113 0.483 . . . . 1.0 111.403 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -64.35 -34.01 77.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.456 0.646 . . . . 1.0 109.913 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 85.5 mtt85 -66.36 -19.24 65.75 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.685 -0.634 . . . . 1.0 110.328 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 78.2 m -131.5 -170.91 2.47 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.305 0.574 . . . . 1.0 110.14 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -99.42 -25.27 14.52 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.806 -0.559 . . . . 1.0 111.512 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.1 172.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.34 0.59 . . . . 1.0 111.655 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.8 p -151.48 156.25 40.2 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 121.972 -0.455 . . . . 1.0 110.649 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.487 ' O ' ' O ' ' A' ' 18' ' ' TYR . 97.7 m-85 -148.96 152.72 36.84 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.449 0.642 . . . . 1.0 111.677 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -93.95 -18.75 21.59 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.769 -0.65 . . . . 1.0 111.207 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' A' ' 29' ' ' TYR . 39.4 m-85 -114.97 141.06 48.49 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 121.227 0.537 . . . . 1.0 111.235 -179.195 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -64.83 -38.05 89.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.946 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.78 -37.12 94.22 Favored Glycine 0 CA--C 1.518 0.25 0 N-CA-C 110.318 -1.113 . . . . 1.0 110.318 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -63.04 -38.95 93.23 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.191 -0.67 . . . . 1.0 109.191 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.464 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -62.15 -42.9 99.7 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.569 -0.53 . . . . 1.0 109.569 -179.818 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.87 -38.98 90.24 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 109.296 -0.631 . . . . 1.0 109.296 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.8 p -60.44 -36.95 79.43 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.539 -0.541 . . . . 1.0 109.539 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -68.35 -36.06 78.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.688 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -62.34 -28.87 70.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.938 0.399 . . . . 1.0 111.036 -179.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 48.7 p -61.45 -29.85 70.21 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 121.558 -0.714 . . . . 1.0 110.744 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.5 t -61.42 -45.57 98.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 O-C-N 123.588 0.555 . . . . 1.0 112.285 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 35.0 p80 -126.73 33.44 4.96 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 121.897 -0.502 . . . . 1.0 112.074 -178.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 t -56.53 -39.15 72.89 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 121.616 -0.678 . . . . 1.0 111.144 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 168.37 -56.59 0.21 Allowed Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.689 -0.964 . . . . 1.0 110.689 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.534 ' CD ' ' H ' ' A' ' 43' ' ' GLU . 32.7 mp0 -61.57 129.67 42.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.338 0.589 . . . . 1.0 110.548 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.511 ' O ' ' N ' ' A' ' 46' ' ' TYR . 31.0 ttmt -167.23 62.48 0.64 Allowed Pre-proline 0 CA--C 1.541 0.614 0 O-C-N 121.927 -0.483 . . . . 1.0 110.796 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -38.42 84.87 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 123.046 2.497 . . . . 1.0 113.15 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.511 ' N ' ' O ' ' A' ' 44' ' ' LYS . 85.2 m-85 -53.35 157.22 2.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.416 0.627 . . . . 1.0 111.249 -179.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.674 HH12 HE21 ' A' ' 54' ' ' GLN . 60.6 ttm-85 -138.24 132.04 31.13 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.308 0.575 . . . . 1.0 109.88 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.5 t -79.33 108.75 13.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.551 0.691 . . . . 1.0 111.258 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -62.95 -38.49 91.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.833 -0.621 . . . . 1.0 110.843 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.433 ' H ' HD12 ' A' ' 50' ' ' ILE . 3.1 mp -64.78 -45.0 96.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.001 0.429 . . . . 1.0 111.44 -179.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 81.1 m -102.86 -72.13 0.7 Allowed 'General case' 0 N--CA 1.469 0.481 0 O-C-N 122.009 -0.432 . . . . 1.0 110.34 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 140.06 2.22 1.65 Allowed Glycine 0 N--CA 1.47 0.904 0 N-CA-C 112.122 -0.391 . . . . 1.0 112.122 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.4 147.5 47.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.721 0.772 . . . . 1.0 111.497 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.674 HE21 HH12 ' A' ' 47' ' ' ARG . 86.5 mt-30 -101.31 136.06 41.78 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.782 -0.645 . . . . 1.0 109.923 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -129.7 134.2 47.51 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-O 121.913 0.863 . . . . 1.0 111.6 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -98.7 6.55 46.89 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.468 0.651 . . . . 1.0 109.948 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -137.67 132.76 17.59 Favored Pre-proline 0 CA--C 1.544 0.737 0 O-C-N 122.011 -0.431 . . . . 1.0 111.072 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -70.44 -30.19 19.49 Favored 'Trans proline' 0 N--CA 1.499 1.815 0 C-N-CA 121.822 1.681 . . . . 1.0 112.102 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.25 -41.61 98.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.484 -0.325 . . . . 1.0 110.177 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -64.49 -40.25 95.31 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.745 -0.465 . . . . 1.0 109.745 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.832 ' O ' HG23 ' A' ' 65' ' ' THR . 0.2 OUTLIER -63.53 -42.0 98.46 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.315 -0.624 . . . . 1.0 109.315 -179.806 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -59.31 -47.77 84.14 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.006 -0.739 . . . . 1.0 109.006 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.0 m -64.03 -33.41 75.67 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 116.046 -0.525 . . . . 1.0 109.745 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -69.63 -40.72 76.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.779 0.8 . . . . 1.0 109.337 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.832 HG23 ' O ' ' A' ' 61' ' ' LEU . 51.9 p -61.67 -17.96 57.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.352 0.596 . . . . 1.0 109.752 179.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -52.6 -42.37 64.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.7 -0.682 . . . . 1.0 110.323 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.423 ' C ' ' H ' ' A' ' 69' ' ' SER . 2.7 pt -68.15 -40.19 82.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.166 0.508 . . . . 1.0 110.381 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 31.1 m-70 -73.24 9.08 1.37 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.271 0.557 . . . . 1.0 110.252 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.423 ' H ' ' C ' ' A' ' 67' ' ' ILE . 30.4 t -142.13 141.39 32.66 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.473 0.654 . . . . 1.0 110.318 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 49.97 76.05 0.18 Allowed Glycine 0 CA--C 1.528 0.873 0 N-CA-C 111.349 -0.701 . . . . 1.0 111.349 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.445 ' OE1' ' N ' ' A' ' 71' ' ' GLU . 55.8 mp0 -78.17 100.93 6.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.037 0.446 . . . . 1.0 110.593 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.9 mttm 53.61 73.15 0.97 Allowed Pre-proline 0 CA--C 1.534 0.34 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.302 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -58.29 145.34 93.76 Favored 'Trans proline' 0 N--CA 1.499 1.847 0 C-N-CA 122.778 2.319 . . . . 1.0 112.505 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.406 ' OXT' ' CD2' ' A' ' 74' ' ' TYR . 65.1 t80 . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.905 -1.045 . . . . 1.0 110.376 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 39.2 tpp . . . . . 0 N--CA 1.492 1.651 0 N-CA-C 109.281 -0.637 . . . . 1.0 109.281 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 54.1 p -66.24 -37.24 85.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.827 0.346 . . . . 1.0 110.904 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 61.6 t-80 -73.04 127.14 31.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.42 0.629 . . . . 1.0 110.743 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.9 p -163.57 130.61 3.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.42 0.629 . . . . 1.0 110.786 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -73.9 -5.31 40.33 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.91 -0.494 . . . . 1.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -128.99 73.69 81.6 Favored Pre-proline 0 N--CA 1.473 0.688 0 C-N-CA 123.55 0.74 . . . . 1.0 109.994 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -79.65 1.45 9.2 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.148 1.899 . . . . 1.0 112.119 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.413 ' O ' ' O ' ' A' ' 27' ' ' PHE . 78.9 m-85 -136.79 79.95 1.79 Allowed 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 121.323 0.582 . . . . 1.0 110.681 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.496 ' HD2' ' H ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -120.56 137.02 54.62 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 122.039 0.923 . . . . 1.0 109.686 -179.863 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.529 ' N ' HD21 ' A' ' 33' ' ' LEU . 23.0 t -64.92 102.54 0.61 Allowed 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.969 -178.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -68.86 -21.1 64.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.565 0.698 . . . . 1.0 109.8 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -67.77 -38.21 83.12 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 121.775 -0.578 . . . . 1.0 110.488 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 75.6 m -115.84 -164.95 0.99 Allowed 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.475 0.655 . . . . 1.0 109.953 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -96.25 -23.66 16.59 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 121.78 -0.575 . . . . 1.0 111.375 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.88 175.0 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.705 0.764 . . . . 1.0 111.481 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.417 ' O ' ' CG ' ' A' ' 27' ' ' PHE . 24.3 t -155.45 156.65 35.66 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 121.868 -0.52 . . . . 1.0 110.791 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.417 ' CG ' ' O ' ' A' ' 26' ' ' SER . 99.7 m-85 -155.03 154.09 31.95 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.426 0.631 . . . . 1.0 111.702 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -96.01 -18.1 20.48 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.896 -0.593 . . . . 1.0 111.413 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -109.62 137.67 47.1 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.166 0.508 . . . . 1.0 111.037 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -68.28 -35.83 78.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.327 -0.397 . . . . 1.0 111.195 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.16 -36.96 93.9 Favored Glycine 0 CA--C 1.519 0.32 0 N-CA-C 110.364 -1.094 . . . . 1.0 110.364 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.414 ' ND2' ' CD1' ' A' ' 27' ' ' PHE . 42.5 t-20 -63.17 -36.55 84.01 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.33 -0.619 . . . . 1.0 109.33 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.529 HD21 ' N ' ' A' ' 20' ' ' CYS . 0.2 OUTLIER -63.59 -39.83 95.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.04 -0.527 . . . . 1.0 109.662 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.51 -38.38 89.69 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 109.187 -0.672 . . . . 1.0 109.187 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.8 t -63.59 -43.19 97.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.195 0.521 . . . . 1.0 109.614 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -74.7 -34.23 62.58 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.772 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -64.84 -31.71 73.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.041 0.448 . . . . 1.0 111.231 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.8 p -67.82 -21.91 65.18 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.605 -0.684 . . . . 1.0 110.772 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 51.6 t -62.99 -43.63 99.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 122.982 0.513 . . . . 1.0 112.022 -179.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -125.22 31.61 5.55 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 121.911 -0.493 . . . . 1.0 112.04 -178.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.0 t -69.28 142.6 54.08 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.638 -0.664 . . . . 1.0 111.073 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -168.63 99.68 0.15 Allowed Glycine 0 CA--C 1.527 0.832 0 N-CA-C 110.805 -0.918 . . . . 1.0 110.805 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.446 ' H ' ' CD ' ' A' ' 43' ' ' GLU . 34.5 mp0 -68.92 -38.18 79.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.015 0.436 . . . . 1.0 111.254 -179.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.456 ' N ' ' CD ' ' A' ' 45' ' ' PRO . 20.5 pttp -169.97 51.06 0.17 Allowed Pre-proline 0 CA--C 1.534 0.357 0 O-C-N 121.875 -0.515 . . . . 1.0 110.669 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.456 ' CD ' ' N ' ' A' ' 44' ' ' LYS . 67.4 Cg_endo -65.5 -157.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 123.365 2.71 . . . . 1.0 111.913 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -144.32 147.68 33.8 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 115.895 -0.593 . . . . 1.0 111.105 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 49.1 ptt85 -134.84 147.02 49.81 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.284 0.564 . . . . 1.0 110.004 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.453 ' SG ' ' HB3' ' A' ' 53' ' ' ALA . 0.5 OUTLIER -78.91 140.76 38.02 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 121.187 0.518 . . . . 1.0 111.118 -179.133 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -75.2 -9.71 58.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.953 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 75.4 mt -85.08 -66.06 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-O 120.907 0.384 . . . . 1.0 111.12 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.518 ' SG ' ' N ' ' A' ' 52' ' ' GLY . 28.9 p -94.74 -53.0 4.03 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 122.015 -0.428 . . . . 1.0 110.67 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.518 ' N ' ' SG ' ' A' ' 51' ' ' CYS . . . 120.75 20.73 3.41 Favored Glycine 0 N--CA 1.474 1.195 0 N-CA-C 111.992 -0.443 . . . . 1.0 111.992 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.453 ' HB3' ' SG ' ' A' ' 48' ' ' CYS . . . -51.62 -177.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 117.864 0.832 . . . . 1.0 111.439 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -146.01 138.51 25.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.012 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -149.62 137.74 20.5 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.843 0.83 . . . . 1.0 111.74 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -94.72 3.65 54.78 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.579 0.704 . . . . 1.0 110.051 179.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -143.07 142.37 21.66 Favored Pre-proline 0 N--CA 1.473 0.698 0 O-C-N 122.009 -0.432 . . . . 1.0 110.704 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.83 -31.99 14.84 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 121.706 1.604 . . . . 1.0 112.145 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.51 -47.36 84.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.349 . . . . 1.0 110.167 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 60.5 t-20 -64.06 -34.03 77.11 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.803 -0.443 . . . . 1.0 109.803 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.623 ' O ' HG23 ' A' ' 65' ' ' THR . 1.1 tt -61.94 -45.84 91.93 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.014 -0.736 . . . . 1.0 109.014 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.403 ' O ' ' OG1' ' A' ' 65' ' ' THR . 38.8 ttpt -61.5 -40.86 96.12 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.222 -0.659 . . . . 1.0 109.222 179.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 25.1 m -67.03 -26.08 66.6 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.878 -0.601 . . . . 1.0 109.719 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.416 ' NE2' HD11 ' A' ' 67' ' ' ILE . 28.2 t60 -82.97 -41.76 18.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.648 0.737 . . . . 1.0 109.281 179.075 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 61' ' ' LEU . 54.6 p -52.02 -18.17 1.3 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.382 0.61 . . . . 1.0 109.653 179.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.401 ' N ' ' C ' ' A' ' 64' ' ' HIS . 96.9 mtt180 -52.3 -41.59 63.04 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.645 -0.707 . . . . 1.0 110.189 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.416 HD11 ' NE2' ' A' ' 64' ' ' HIS . 4.7 pt -65.72 -39.71 85.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.128 0.49 . . . . 1.0 110.189 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -72.17 -24.22 61.4 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 121.989 -0.445 . . . . 1.0 110.165 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.7 t 55.66 64.44 1.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.187 0.517 . . . . 1.0 110.554 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.78 -36.55 93.46 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.0 -0.84 . . . . 1.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -58.57 111.53 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.174 0.511 . . . . 1.0 110.293 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.7 mmtp -69.56 148.01 96.82 Favored Pre-proline 0 CA--C 1.54 0.569 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.772 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -65.96 -21.39 56.96 Favored 'Trans proline' 0 N--CA 1.497 1.7 0 C-N-CA 122.192 1.928 . . . . 1.0 112.607 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 72.1 t80 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.911 -1.042 . . . . 1.0 110.204 -179.62 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 71.8 mmm . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.093 -0.706 . . . . 1.0 109.093 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.431 ' O ' ' CG ' ' A' ' 13' ' ' HIS . 60.2 p -74.9 138.84 42.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.538 -0.301 . . . . 1.0 110.194 179.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.431 ' CG ' ' O ' ' A' ' 12' ' ' THR . 72.6 m80 -153.55 -127.9 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.688 0.28 . . . . 1.0 110.657 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.417 ' C ' ' H ' ' A' ' 16' ' ' LYS . 13.7 t 57.21 153.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.601 0.715 . . . . 1.0 111.046 -179.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -76.32 35.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 O-C-N 121.883 -0.51 . . . . 1.0 110.876 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.417 ' H ' ' C ' ' A' ' 14' ' ' SER . 94.0 mttt -132.64 60.86 53.2 Favored Pre-proline 0 N--CA 1.468 0.453 0 C-N-CA 123.353 0.661 . . . . 1.0 109.89 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -73.72 -14.0 24.45 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.165 1.91 . . . . 1.0 112.196 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.514 ' O ' ' O ' ' A' ' 27' ' ' PHE . 79.3 m-85 -105.71 109.63 21.65 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.009 0.433 . . . . 1.0 110.925 -179.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -142.23 152.59 43.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.152 0.501 . . . . 1.0 110.089 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.1 t -75.46 110.41 9.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.309 0.576 . . . . 1.0 111.253 -179.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 22' ' ' ARG . 47.2 p-10 -61.36 -32.65 72.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.56 0.695 . . . . 1.0 110.041 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.488 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 0.5 OUTLIER -67.79 -44.63 76.95 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.711 -0.618 . . . . 1.0 110.221 179.811 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 58.7 m -108.81 -141.63 0.38 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.982 0.42 . . . . 1.0 110.482 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -133.53 -21.83 1.97 Allowed 'General case' 0 N--CA 1.47 0.573 0 O-C-N 121.74 -0.6 . . . . 1.0 111.435 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.51 98.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.549 0.69 . . . . 1.0 111.787 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.3 m -73.39 141.35 46.99 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.887 -0.508 . . . . 1.0 110.957 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.558 ' CD1' ' ND2' ' A' ' 32' ' ' ASN . 70.3 m-85 -128.55 147.17 50.68 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-O 121.431 0.634 . . . . 1.0 111.92 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -96.26 -0.93 49.07 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.615 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -130.16 137.49 50.14 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.112 0.482 . . . . 1.0 111.099 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -67.74 -33.21 74.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.35 -0.386 . . . . 1.0 111.101 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -66.76 -36.51 91.31 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.134 -1.186 . . . . 1.0 110.134 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.558 ' ND2' ' CD1' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -64.51 -40.54 95.83 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.558 -0.534 . . . . 1.0 109.558 179.645 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 33' ' ' LEU . 0.6 OUTLIER -63.7 -44.5 93.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.461 0.648 . . . . 1.0 109.497 -179.666 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.37 -39.28 93.56 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.37 -0.604 . . . . 1.0 109.37 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.7 t -61.45 -43.26 99.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.371 0.605 . . . . 1.0 109.483 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -65.88 -35.01 79.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.812 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -61.12 -32.11 71.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.024 0.44 . . . . 1.0 110.978 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 71.9 p -51.53 -31.85 25.67 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.551 -0.718 . . . . 1.0 110.995 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.9 t -62.06 -45.62 98.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.055 -0.521 . . . . 1.0 112.193 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -66.21 -34.45 78.05 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.85 -0.531 . . . . 1.0 112.069 -178.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.7 m -56.84 129.29 40.77 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 121.702 -0.624 . . . . 1.0 111.125 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 43' ' ' GLU . . . 167.18 -103.36 0.2 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.773 -0.931 . . . . 1.0 110.773 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 42' ' ' GLY . 97.8 mt-10 53.57 107.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.333 0.587 . . . . 1.0 110.843 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -159.14 71.73 3.49 Favored Pre-proline 0 N--CA 1.467 0.409 0 CA-C-O 121.195 0.522 . . . . 1.0 110.382 179.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -52.64 -45.32 41.05 Favored 'Trans proline' 0 N--CA 1.498 1.779 0 C-N-CA 122.696 2.264 . . . . 1.0 113.307 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -141.02 149.19 41.41 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.381 0.61 . . . . 1.0 111.027 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.629 HH22 ' NE2' ' A' ' 54' ' ' GLN . 60.9 ttm-85 -139.64 136.86 34.76 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.243 0.544 . . . . 1.0 109.677 179.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.2 t -76.4 114.03 14.65 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.783 0.801 . . . . 1.0 110.884 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -63.63 -35.6 81.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.552 -0.749 . . . . 1.0 110.956 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 26.7 mt -62.48 -43.81 98.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.911 0.386 . . . . 1.0 111.032 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 23.8 m -113.83 -70.53 0.8 Allowed 'General case' 0 N--CA 1.474 0.731 0 O-C-N 122.06 -0.4 . . . . 1.0 110.681 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 140.62 12.27 0.59 Allowed Glycine 0 CA--C 1.531 1.076 0 N-CA-C 112.034 -0.426 . . . . 1.0 112.034 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.09 139.78 54.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 117.882 0.841 . . . . 1.0 111.581 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.629 ' NE2' HH22 ' A' ' 47' ' ' ARG . 77.9 mt-30 -92.94 142.95 26.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.126 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -132.28 138.29 47.8 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 121.984 0.897 . . . . 1.0 111.818 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -90.23 -13.49 35.32 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.587 0.708 . . . . 1.0 110.29 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 62.9 mtt85 -143.69 146.06 33.57 Favored Pre-proline 0 N--CA 1.475 0.793 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.657 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -68.55 -27.94 32.35 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 121.654 1.569 . . . . 1.0 111.917 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.25 -40.2 93.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 1.0 110.141 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -63.98 -38.21 90.23 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.902 -0.407 . . . . 1.0 109.902 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.21 -42.98 99.79 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.048 -0.723 . . . . 1.0 109.048 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.6 ttmm -54.11 -39.55 66.5 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.091 -0.707 . . . . 1.0 109.091 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.6 m -66.24 -35.28 80.0 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.832 -0.622 . . . . 1.0 109.646 179.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -73.63 -42.87 60.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.582 0.706 . . . . 1.0 109.732 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.3 p -55.77 -33.89 64.76 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.499 -0.556 . . . . 1.0 109.499 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 60.7 ttt85 -58.03 -34.09 69.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.172 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 66.7 mt -63.2 -41.96 94.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.939 0.399 . . . . 1.0 110.146 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -66.84 -37.56 84.71 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 122.0 -0.438 . . . . 1.0 110.282 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.0 t -63.78 151.24 42.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.075 0.464 . . . . 1.0 110.327 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.22 -35.45 92.09 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 111.046 -0.821 . . . . 1.0 111.046 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 59.32 159.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.417 0.627 . . . . 1.0 110.208 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.4 tttm -126.15 72.52 71.19 Favored Pre-proline 0 N--CA 1.472 0.634 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.288 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -74.58 154.86 44.92 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.016 1.811 . . . . 1.0 112.728 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 65.0 t80 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.932 -1.032 . . . . 1.0 110.769 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 16.5 ptt? . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 109.389 -0.597 . . . . 1.0 109.389 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 73.7 p -69.95 139.76 52.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.025 0.441 . . . . 1.0 110.096 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -66.37 -36.58 83.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.33 0.586 . . . . 1.0 110.948 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.9 t -143.84 150.8 39.03 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 121.483 0.658 . . . . 1.0 110.962 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -60.65 -8.65 3.05 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.875 -0.516 . . . . 1.0 111.039 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -113.55 81.61 5.58 Favored Pre-proline 0 N--CA 1.473 0.724 0 C-N-CA 123.169 0.588 . . . . 1.0 109.64 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -75.09 -14.12 21.04 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 121.809 1.673 . . . . 1.0 111.937 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.505 ' O ' ' O ' ' A' ' 27' ' ' PHE . 81.2 m-85 -114.09 103.28 10.97 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 121.574 0.702 . . . . 1.0 111.234 -179.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -141.02 152.08 44.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.516 0.674 . . . . 1.0 109.849 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.4 t -80.83 106.58 12.94 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.987 -0.446 . . . . 1.0 111.3 -179.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -63.31 -27.57 69.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.532 0.682 . . . . 1.0 109.967 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -69.08 -17.96 63.93 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 121.739 -0.601 . . . . 1.0 110.586 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 34.3 m -136.86 -172.99 3.31 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.334 0.587 . . . . 1.0 110.07 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -96.7 -15.99 21.14 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.815 -0.553 . . . . 1.0 111.758 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.13 150.65 20.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.707 0.765 . . . . 1.0 111.536 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.8 m -131.97 152.35 51.17 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.832 -0.543 . . . . 1.0 110.882 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.505 ' O ' ' O ' ' A' ' 18' ' ' TYR . 97.4 m-85 -143.83 150.71 38.91 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 121.363 0.601 . . . . 1.0 111.716 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.451 ' NH2' ' CE2' ' A' ' 29' ' ' TYR . 63.2 ttp85 -91.2 -17.44 26.04 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.929 -0.578 . . . . 1.0 111.042 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.451 ' CE2' ' NH2' ' A' ' 28' ' ' ARG . 17.5 m-85 -112.8 146.85 38.1 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-O 121.386 0.612 . . . . 1.0 111.242 -179.077 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -72.11 -35.12 69.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.293 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.71 -35.86 86.43 Favored Glycine 0 CA--C 1.518 0.278 0 N-CA-C 110.361 -1.095 . . . . 1.0 110.361 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -62.83 -38.98 92.91 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.17 -0.678 . . . . 1.0 109.17 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.459 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -60.88 -44.4 97.13 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.496 -0.557 . . . . 1.0 109.496 -179.65 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.05 -37.04 80.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.31 0.576 . . . . 1.0 109.53 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.4 t -60.73 -41.08 94.59 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.43 -0.581 . . . . 1.0 109.43 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.438 ' O ' HG12 ' A' ' 39' ' ' VAL . 39.0 t60 -66.71 -41.54 87.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.574 179.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -55.33 -21.58 15.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.053 0.454 . . . . 1.0 111.151 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 71.7 p -57.31 -32.41 66.65 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.586 -0.696 . . . . 1.0 110.769 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.458 HG13 ' N ' ' A' ' 40' ' ' HIS . 4.5 p -60.6 -44.84 97.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 112.426 0.528 . . . . 1.0 112.426 -178.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.458 ' N ' HG13 ' A' ' 39' ' ' VAL . 13.5 p80 -127.69 31.68 5.11 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 121.896 -0.502 . . . . 1.0 112.059 -178.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.6 t -59.44 -43.42 93.12 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 121.721 -0.612 . . . . 1.0 111.287 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 157.32 67.41 0.01 OUTLIER Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.57 -1.012 . . . . 1.0 110.57 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.467 ' OE1' ' N ' ' A' ' 43' ' ' GLU . 57.4 mp0 -79.38 -12.91 59.9 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.161 0.505 . . . . 1.0 111.345 -179.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -166.83 131.26 1.62 Allowed Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 120.408 -0.517 . . . . 1.0 110.779 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -75.86 -97.52 0.01 OUTLIER 'Trans proline' 0 N--CA 1.504 2.122 0 C-N-CA 121.8 1.667 . . . . 1.0 113.141 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -138.7 152.45 48.02 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 121.424 0.631 . . . . 1.0 110.709 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -138.93 138.92 37.79 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.004 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.4 t -75.7 118.37 18.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.553 0.692 . . . . 1.0 110.988 -179.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -70.03 -26.57 64.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.827 -0.624 . . . . 1.0 111.015 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.652 ' N ' HD12 ' A' ' 50' ' ' ILE . 1.9 mp -62.76 -43.91 99.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.104 -178.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 52' ' ' GLY . 11.9 p -123.17 -61.86 1.38 Allowed 'General case' 0 N--CA 1.473 0.703 0 O-C-N 122.086 -0.383 . . . . 1.0 110.5 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.45 ' N ' ' SG ' ' A' ' 51' ' ' CYS . . . 144.38 6.54 0.53 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.99 -0.444 . . . . 1.0 111.99 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.83 137.99 58.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 117.76 0.78 . . . . 1.0 111.572 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -100.01 141.81 32.33 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.794 -0.639 . . . . 1.0 110.267 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -132.21 146.33 51.94 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 121.858 0.837 . . . . 1.0 111.78 -179.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -92.77 -9.68 39.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.366 0.603 . . . . 1.0 109.886 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 -144.33 144.66 26.39 Favored Pre-proline 0 CA--C 1.542 0.666 0 O-C-N 122.083 -0.385 . . . . 1.0 110.885 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.91 -28.85 35.41 Favored 'Trans proline' 0 N--CA 1.5 1.871 0 C-N-CA 121.846 1.697 . . . . 1.0 111.972 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.96 -45.47 86.65 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.022 -0.362 . . . . 1.0 110.022 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -63.85 -35.54 80.96 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.916 -0.402 . . . . 1.0 109.916 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.771 ' O ' HG23 ' A' ' 65' ' ' THR . 0.9 OUTLIER -62.65 -45.21 93.87 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.256 -0.646 . . . . 1.0 109.256 -179.703 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -61.6 -41.35 97.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.566 0.698 . . . . 1.0 109.418 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 97.9 m -68.09 -27.15 66.23 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.684 -0.689 . . . . 1.0 109.79 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -81.5 -38.53 26.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.628 0.728 . . . . 1.0 109.431 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.771 HG23 ' O ' ' A' ' 61' ' ' LEU . 77.4 p -58.1 -30.43 66.26 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.429 -0.582 . . . . 1.0 109.429 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -58.61 -36.42 74.01 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.261 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.596 ' C ' ' H ' ' A' ' 69' ' ' SER . 63.0 mt -61.87 -42.17 93.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.804 -0.443 . . . . 1.0 109.804 -179.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 -66.75 24.85 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 121.088 0.47 . . . . 1.0 110.608 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.596 ' H ' ' C ' ' A' ' 67' ' ' ILE . 11.1 t -59.58 -44.91 93.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.361 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 77.97 -101.93 1.74 Allowed Glycine 0 CA--C 1.523 0.531 0 N-CA-C 111.261 -0.735 . . . . 1.0 111.261 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -61.68 125.83 25.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.201 0.524 . . . . 1.0 110.518 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.404 ' N ' ' CD ' ' A' ' 73' ' ' PRO . 78.0 tttt -169.96 54.54 0.23 Allowed Pre-proline 0 CA--C 1.533 0.313 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.036 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.404 ' CD ' ' N ' ' A' ' 72' ' ' LYS . 38.0 Cg_endo -65.18 -17.56 58.96 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.573 2.182 . . . . 1.0 112.22 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.069 -0.967 . . . . 1.0 110.561 -179.997 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 N--CA 1.488 1.46 0 N-CA-C 109.008 -0.738 . . . . 1.0 109.008 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.0 p -79.04 164.91 23.96 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 110.213 -0.291 . . . . 1.0 110.213 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 86.8 t60 48.25 85.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.454 0.645 . . . . 1.0 110.945 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 94.2 p -165.09 14.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 O-C-N 122.015 -0.428 . . . . 1.0 111.596 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 44.2 p-10 -83.48 12.48 5.55 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 121.879 -0.513 . . . . 1.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -130.91 62.96 68.47 Favored Pre-proline 0 N--CA 1.471 0.599 0 C-N-CA 123.436 0.695 . . . . 1.0 109.855 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -73.73 -17.94 22.58 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.05 1.833 . . . . 1.0 112.31 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.539 ' O ' ' O ' ' A' ' 27' ' ' PHE . 95.7 m-85 -96.09 107.4 19.71 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 121.297 0.57 . . . . 1.0 110.759 -179.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -140.48 152.04 45.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.448 0.642 . . . . 1.0 109.691 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.6 t -81.01 99.89 8.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.199 0.523 . . . . 1.0 111.126 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -57.74 -31.97 66.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.666 0.746 . . . . 1.0 109.894 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -69.26 -19.88 63.93 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.707 -0.62 . . . . 1.0 110.424 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 84.0 m -133.49 -163.46 1.36 Allowed 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.462 0.649 . . . . 1.0 110.038 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.56 ' CD ' ' H ' ' A' ' 24' ' ' GLN . 3.0 pm0 -110.03 -3.17 16.63 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 121.715 -0.615 . . . . 1.0 111.489 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.24 145.02 54.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.665 0.745 . . . . 1.0 111.427 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.5 p -118.47 141.94 48.07 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.898 -0.501 . . . . 1.0 110.915 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.539 ' O ' ' O ' ' A' ' 18' ' ' TYR . 95.9 m-85 -132.47 150.06 52.22 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 121.555 0.693 . . . . 1.0 111.995 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -95.8 -20.1 19.11 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.651 -0.704 . . . . 1.0 111.213 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.42 ' N ' ' CD1' ' A' ' 29' ' ' TYR . 44.8 m-85 -114.83 145.27 42.33 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 121.39 0.614 . . . . 1.0 111.066 -179.029 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -66.85 -38.24 86.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.502 . . . . 1.0 111.05 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.27 -37.03 94.23 Favored Glycine 0 CA--C 1.518 0.268 0 N-CA-C 110.267 -1.133 . . . . 1.0 110.267 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -62.8 -39.47 94.36 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.379 -0.6 . . . . 1.0 109.379 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.422 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -64.01 -43.99 93.97 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 121.45 0.643 . . . . 1.0 109.576 -179.803 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.44 -36.28 78.81 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.44 -0.578 . . . . 1.0 109.44 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.446 ' O ' HG22 ' A' ' 38' ' ' THR . 35.3 t -58.66 -42.07 87.56 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.313 -0.625 . . . . 1.0 109.313 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -66.62 -35.69 80.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.409 -0.36 . . . . 1.0 110.76 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -50.96 -27.13 6.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.146 0.498 . . . . 1.0 111.239 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.446 HG22 ' O ' ' A' ' 35' ' ' SER . 14.9 t -47.78 -36.58 11.89 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.588 -0.695 . . . . 1.0 111.148 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.8 t -61.57 -43.44 96.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 123.254 0.622 . . . . 1.0 112.21 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -75.18 18.37 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.893 -0.504 . . . . 1.0 112.13 -178.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.6 t -61.71 -38.28 87.27 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.615 -0.678 . . . . 1.0 111.194 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.28 177.1 36.77 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.204 -0.759 . . . . 1.0 111.204 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -162.44 4.23 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.909 0.385 . . . . 1.0 110.955 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 54.6 mttm 60.21 62.34 3.38 Favored Pre-proline 0 CA--C 1.532 0.28 0 O-C-N 121.97 -0.456 . . . . 1.0 110.456 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -75.44 -97.56 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.731 0 C-N-CA 122.567 2.178 . . . . 1.0 113.183 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -110.46 140.25 44.9 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 121.489 0.662 . . . . 1.0 111.114 -179.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -137.85 124.81 21.32 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.452 0.644 . . . . 1.0 109.906 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.88 110.36 8.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.508 0.67 . . . . 1.0 111.066 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 41.7 p-10 -72.6 -25.03 61.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.976 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.1 mp -62.62 -47.98 90.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 1.0 111.513 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.504 ' SG ' ' N ' ' A' ' 52' ' ' GLY . 26.3 p -115.58 -57.07 2.28 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 122.074 -0.392 . . . . 1.0 110.606 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.504 ' N ' ' SG ' ' A' ' 51' ' ' CYS . . . 143.78 -3.38 1.54 Allowed Glycine 0 N--CA 1.47 0.946 0 N-CA-C 112.126 -0.39 . . . . 1.0 112.126 179.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.22 173.45 0.07 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.719 0.771 . . . . 1.0 111.667 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -137.59 145.38 42.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.735 -0.666 . . . . 1.0 110.148 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -150.86 152.53 33.84 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.912 0.863 . . . . 1.0 111.719 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -98.28 2.07 47.81 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.519 0.676 . . . . 1.0 109.983 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -140.82 139.91 20.75 Favored Pre-proline 0 N--CA 1.478 0.935 0 O-C-N 121.988 -0.445 . . . . 1.0 110.931 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.69 -33.39 8.3 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 121.466 1.444 . . . . 1.0 112.138 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.89 -45.45 92.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.965 0.412 . . . . 1.0 110.073 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.1 t-20 -63.44 -27.3 69.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.14 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.824 ' O ' HG23 ' A' ' 65' ' ' THR . 1.2 tt -61.4 -48.96 78.81 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.076 -0.712 . . . . 1.0 109.076 -179.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -63.62 -43.5 96.65 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.195 -0.668 . . . . 1.0 109.195 179.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 10.7 m -63.37 -34.46 77.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.925 -0.58 . . . . 1.0 109.62 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.439 ' C ' ' N ' ' A' ' 66' ' ' ARG . 1.5 t60 -72.43 -50.02 29.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.767 0.794 . . . . 1.0 109.14 179.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.824 HG23 ' O ' ' A' ' 61' ' ' LEU . 81.9 p -48.57 -18.14 0.22 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.952 0.882 . . . . 1.0 109.941 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.439 ' N ' ' C ' ' A' ' 64' ' ' HIS . 59.4 ttp180 -55.29 -33.78 63.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.109 -0.95 . . . . 1.0 110.414 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.54 HG23 ' N ' ' A' ' 68' ' ' HIS . 19.2 tt -64.07 -49.26 82.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.19 0.519 . . . . 1.0 110.626 -179.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.54 ' N ' HG23 ' A' ' 67' ' ' ILE . 20.5 p80 -111.93 32.28 5.59 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.946 -0.471 . . . . 1.0 110.433 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.477 ' N ' ' O ' ' A' ' 65' ' ' THR . 6.9 p -45.42 -43.23 11.11 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.461 0.648 . . . . 1.0 110.789 -179.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 148.58 -14.33 1.22 Allowed Glycine 0 N--CA 1.464 0.551 0 N-CA-C 110.713 -0.955 . . . . 1.0 110.713 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -160.01 150.29 18.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.067 0.461 . . . . 1.0 110.798 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.459 ' N ' ' CD ' ' A' ' 73' ' ' PRO . 52.3 pttt -169.42 50.99 0.18 Allowed Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.087 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.459 ' CD ' ' N ' ' A' ' 72' ' ' LYS . 38.2 Cg_endo -63.76 148.64 91.94 Favored 'Trans proline' 0 N--CA 1.5 1.875 0 C-N-CA 122.619 2.213 . . . . 1.0 112.6 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 61.9 t80 . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.965 -1.017 . . . . 1.0 110.815 179.658 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.49 ' O ' ' N ' ' A' ' 13' ' ' HIS . 67.5 mtt . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 108.836 -0.802 . . . . 1.0 108.836 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.0 m 59.57 -76.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.739 0.304 . . . . 1.0 110.793 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.49 ' N ' ' O ' ' A' ' 11' ' ' MET . 22.9 p80 -74.5 -13.64 60.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.975 0.417 . . . . 1.0 110.694 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.1 t -62.22 -44.01 97.55 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 122.031 -0.418 . . . . 1.0 111.778 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 40.6 p30 -76.4 -5.25 46.46 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.927 -0.483 . . . . 1.0 110.83 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -132.56 68.88 79.72 Favored Pre-proline 0 N--CA 1.471 0.61 0 C-N-CA 123.457 0.703 . . . . 1.0 109.536 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -77.37 -11.25 17.44 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.239 1.959 . . . . 1.0 112.063 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.511 ' O ' ' O ' ' A' ' 27' ' ' PHE . 68.2 m-85 -116.56 104.71 11.68 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.418 0.628 . . . . 1.0 110.956 -179.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -141.76 153.48 44.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.438 0.637 . . . . 1.0 109.826 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.6 t -76.58 111.2 11.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.972 0.415 . . . . 1.0 111.315 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' A' ' 22' ' ' ARG . 48.0 p-10 -66.11 -31.99 73.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.464 0.649 . . . . 1.0 109.955 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.451 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 75.2 ttt180 -68.0 -41.88 81.61 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.68 -0.638 . . . . 1.0 110.428 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 72.0 m -107.18 -171.56 1.91 Allowed 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.365 0.603 . . . . 1.0 110.128 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -99.66 -20.21 16.42 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.749 -0.595 . . . . 1.0 111.442 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.46 160.22 0.88 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.608 0.718 . . . . 1.0 111.494 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.5 t -139.64 145.78 38.9 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.919 -0.488 . . . . 1.0 110.719 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.511 ' O ' ' O ' ' A' ' 18' ' ' TYR . 98.9 m-85 -132.47 153.43 50.89 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 121.41 0.624 . . . . 1.0 111.828 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 91.2 mtm180 -96.27 -3.66 43.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.826 -0.624 . . . . 1.0 110.989 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -131.92 146.59 52.2 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 121.417 0.627 . . . . 1.0 111.036 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -70.41 -35.36 73.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.96 -0.563 . . . . 1.0 111.363 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.44 -37.83 94.21 Favored Glycine 0 CA--C 1.517 0.198 0 N-CA-C 110.192 -1.163 . . . . 1.0 110.192 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -63.43 -39.19 93.82 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.338 -0.616 . . . . 1.0 109.338 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.473 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -61.84 -43.51 98.71 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.469 -0.567 . . . . 1.0 109.469 -179.901 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.75 -37.18 81.79 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 109.395 -0.594 . . . . 1.0 109.395 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.486 ' O ' HG22 ' A' ' 38' ' ' THR . 45.1 t -61.55 -39.24 90.37 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.195 0.521 . . . . 1.0 109.641 179.096 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -66.36 -35.45 80.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.862 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.1 pttp -42.58 -26.16 0.11 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.573 0.701 . . . . 1.0 111.56 -179.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.486 HG22 ' O ' ' A' ' 35' ' ' SER . 9.0 t -56.61 -36.2 69.15 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.548 -0.72 . . . . 1.0 110.788 -178.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 49.5 t -59.55 -24.21 27.93 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 C-N-CA 123.229 0.612 . . . . 1.0 111.956 -179.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 41.2 m170 -71.16 -14.82 62.4 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 121.902 -0.499 . . . . 1.0 112.115 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.9 m 57.22 114.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.653 -0.654 . . . . 1.0 111.338 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 168.24 -23.49 0.11 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.608 -0.997 . . . . 1.0 110.608 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 55.59 24.01 6.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.729 0.299 . . . . 1.0 111.049 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -64.32 155.27 80.72 Favored Pre-proline 0 CA--C 1.541 0.598 0 O-C-N 122.025 -0.422 . . . . 1.0 110.42 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -68.66 -92.84 0.0 OUTLIER 'Trans proline' 0 N--CA 1.502 2.024 0 C-N-CA 122.552 2.168 . . . . 1.0 112.894 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -133.49 146.45 51.11 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 121.589 0.709 . . . . 1.0 111.081 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -139.32 140.38 37.54 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.882 -0.599 . . . . 1.0 109.868 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.0 t -79.17 114.64 18.27 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.511 0.672 . . . . 1.0 110.923 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 -65.73 -33.39 75.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.821 -0.627 . . . . 1.0 111.174 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 30.9 mt -63.45 -43.19 98.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-O 121.03 0.443 . . . . 1.0 111.066 -179.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 16.3 m -115.76 -70.54 0.79 Allowed 'General case' 0 N--CA 1.475 0.815 0 O-C-N 122.019 -0.425 . . . . 1.0 110.472 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.467 ' O ' ' NE2' ' A' ' 54' ' ' GLN . . . 143.05 12.84 0.36 Allowed Glycine 0 CA--C 1.531 1.064 0 N-CA-C 112.041 -0.424 . . . . 1.0 112.041 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.2 137.89 51.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 117.827 0.813 . . . . 1.0 111.642 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.467 ' NE2' ' O ' ' A' ' 52' ' ' GLY . 21.3 mp0 -92.99 144.34 25.35 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.958 -0.564 . . . . 1.0 110.101 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -134.76 140.37 45.86 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 121.77 0.795 . . . . 1.0 111.905 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -92.07 3.21 55.76 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.556 0.693 . . . . 1.0 109.909 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.613 HH11 HD21 ' A' ' 60' ' ' ASN . 7.3 ptp85 -166.8 147.76 5.26 Favored Pre-proline 0 CA--C 1.543 0.694 0 O-C-N 122.006 -0.434 . . . . 1.0 110.508 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.82 -27.26 44.11 Favored 'Trans proline' 0 N--CA 1.497 1.729 0 C-N-CA 122.186 1.924 . . . . 1.0 111.925 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.22 -46.73 79.38 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 110.111 -0.329 . . . . 1.0 110.111 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.613 HD21 HH11 ' A' ' 57' ' ' ARG . 98.2 m-20 -65.54 -38.78 90.59 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.938 -0.393 . . . . 1.0 109.938 179.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 64' ' ' HIS . 1.3 tt -63.56 -49.36 73.74 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.034 -0.728 . . . . 1.0 109.034 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -45.45 -43.1 11.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.683 0.754 . . . . 1.0 109.676 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.2 m -63.51 -37.51 87.6 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.646 -0.706 . . . . 1.0 109.518 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.457 ' N ' ' O ' ' A' ' 61' ' ' LEU . 79.7 t60 -71.39 -39.55 71.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.799 0.809 . . . . 1.0 109.542 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 61' ' ' LEU . 72.1 p -60.91 -33.15 72.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.901 -0.591 . . . . 1.0 109.42 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -59.43 -34.73 72.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.173 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 67.1 mt -63.81 -40.84 90.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.928 0.394 . . . . 1.0 110.349 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -65.71 -38.62 89.72 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 122.05 -0.406 . . . . 1.0 110.262 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.9 t -152.64 147.15 25.8 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.304 0.573 . . . . 1.0 110.257 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 165.99 -27.23 0.18 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.886 -0.886 . . . . 1.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.11 -41.13 99.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.892 0.377 . . . . 1.0 110.574 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -162.51 73.77 2.16 Favored Pre-proline 0 CA--C 1.534 0.363 0 N-CA-C 110.011 -0.366 . . . . 1.0 110.011 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -57.5 143.33 94.7 Favored 'Trans proline' 0 N--CA 1.5 1.893 0 C-N-CA 122.771 2.314 . . . . 1.0 112.676 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.07 -0.966 . . . . 1.0 110.703 179.752 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 19.0 ptm . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.343 -0.614 . . . . 1.0 109.343 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.2 p -64.97 -32.78 74.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.55 -0.295 . . . . 1.0 110.979 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.9 p-80 -71.56 159.79 33.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.045 0.45 . . . . 1.0 110.702 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 67.2 p -154.21 37.93 0.44 Allowed 'General case' 0 N--CA 1.466 0.341 0 O-C-N 122.089 -0.382 . . . . 1.0 111.627 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -65.52 -43.75 89.07 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 121.865 -0.522 . . . . 1.0 110.806 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.28 76.89 75.27 Favored Pre-proline 0 N--CA 1.472 0.646 0 C-N-CA 123.649 0.78 . . . . 1.0 109.504 179.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -77.42 -17.27 14.72 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.116 1.877 . . . . 1.0 112.017 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.461 ' O ' ' O ' ' A' ' 27' ' ' PHE . 91.8 m-85 -105.79 111.32 23.94 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 121.606 0.717 . . . . 1.0 111.004 -179.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -142.09 141.0 32.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.642 0.734 . . . . 1.0 109.789 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.46 ' N ' HD21 ' A' ' 33' ' ' LEU . 12.4 t -67.97 112.67 5.11 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.067 0.461 . . . . 1.0 110.97 -178.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' A' ' 22' ' ' ARG . 33.6 p30 -66.19 -32.97 74.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.574 0.702 . . . . 1.0 110.008 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.505 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 8.1 tpm_? -67.66 -21.77 65.34 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.652 -0.655 . . . . 1.0 110.654 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 74.3 m -126.63 -174.67 3.19 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.493 0.663 . . . . 1.0 109.942 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -104.9 1.07 28.54 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.788 -0.57 . . . . 1.0 111.434 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.07 -178.09 0.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.455 0.645 . . . . 1.0 111.46 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.414 ' C ' ' CD1' ' A' ' 27' ' ' PHE . 35.7 p -149.39 156.12 41.55 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.911 -0.493 . . . . 1.0 110.73 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.461 ' O ' ' O ' ' A' ' 18' ' ' TYR . 96.5 m-85 -151.48 152.55 33.16 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.35 0.595 . . . . 1.0 111.544 -179.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -95.8 -19.21 19.79 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.925 -0.579 . . . . 1.0 111.213 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -118.02 138.91 51.89 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 121.246 0.546 . . . . 1.0 111.273 -179.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -67.22 -34.98 78.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.937 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.7 -34.86 90.08 Favored Glycine 0 CA--C 1.518 0.229 0 N-CA-C 110.317 -1.113 . . . . 1.0 110.317 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -63.33 -38.24 90.4 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 108.869 -0.789 . . . . 1.0 108.869 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.534 ' O ' HD13 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -62.66 -42.36 99.58 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.775 -0.454 . . . . 1.0 109.775 -179.899 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.84 90.18 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 109.235 -0.654 . . . . 1.0 109.235 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 55.7 m -62.74 -43.6 98.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.281 0.563 . . . . 1.0 109.762 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -72.83 -34.91 67.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.692 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -65.37 -39.54 92.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.072 0.463 . . . . 1.0 111.201 -179.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.0 p -54.76 -19.21 5.85 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.628 -0.67 . . . . 1.0 110.765 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.94 -44.08 97.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 122.972 0.509 . . . . 1.0 112.102 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 20.4 p80 -124.93 23.49 7.83 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 121.875 -0.515 . . . . 1.0 111.892 -178.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 69.8 m -66.71 134.94 53.24 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 121.607 -0.683 . . . . 1.0 111.204 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -164.68 162.69 35.72 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.919 -0.872 . . . . 1.0 110.919 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -75.75 52.62 0.68 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.175 0.512 . . . . 1.0 111.168 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.84 66.81 27.44 Favored Pre-proline 0 N--CA 1.475 0.79 0 O-C-N 121.919 -0.488 . . . . 1.0 110.593 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -42.56 -64.84 0.22 Allowed 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.866 2.378 . . . . 1.0 113.105 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -139.15 144.4 38.6 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 121.418 0.628 . . . . 1.0 110.95 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.524 HH21 ' NE2' ' A' ' 54' ' ' GLN . 42.6 ttm180 -139.32 140.68 37.63 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.976 -0.556 . . . . 1.0 109.75 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 20.0 t -79.8 111.61 16.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.582 0.706 . . . . 1.0 111.025 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -64.99 -35.48 81.33 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.716 -0.674 . . . . 1.0 110.87 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.66 ' N ' HD12 ' A' ' 50' ' ' ILE . 3.0 mp -63.6 -43.52 98.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.046 0.45 . . . . 1.0 111.081 -178.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 56.1 m -111.36 -69.66 0.86 Allowed 'General case' 0 N--CA 1.471 0.6 0 O-C-N 122.045 -0.41 . . . . 1.0 110.47 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 141.9 6.55 0.79 Allowed Glycine 0 CA--C 1.528 0.862 0 N-CA-C 111.978 -0.449 . . . . 1.0 111.978 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.71 141.38 55.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 117.833 0.817 . . . . 1.0 111.771 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.524 ' NE2' HH21 ' A' ' 47' ' ' ARG . 88.9 mt-30 -99.07 145.33 27.23 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.232 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -132.99 147.52 52.28 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 122.084 0.945 . . . . 1.0 111.703 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -93.25 -14.64 26.79 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.699 -0.682 . . . . 1.0 109.915 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -141.25 146.14 41.47 Favored Pre-proline 0 N--CA 1.474 0.731 0 O-C-N 122.061 -0.4 . . . . 1.0 110.867 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -69.14 -28.99 27.56 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.057 1.838 . . . . 1.0 112.015 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.53 -42.42 92.26 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 110.051 -0.351 . . . . 1.0 110.051 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -63.25 -42.98 99.25 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.961 -0.385 . . . . 1.0 109.961 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 64' ' ' HIS . 1.6 tt -66.45 -45.22 80.51 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.083 -0.71 . . . . 1.0 109.083 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -47.87 -41.1 23.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.623 0.725 . . . . 1.0 109.251 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 93.3 m -66.76 -32.42 73.7 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.723 -0.671 . . . . 1.0 109.735 178.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 61' ' ' LEU . 79.1 t60 -74.9 -38.68 61.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.727 0.775 . . . . 1.0 109.408 179.318 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 61.0 p -60.22 -32.93 71.57 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.352 -0.61 . . . . 1.0 109.352 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -59.27 -35.8 74.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.231 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 67.5 mt -63.41 -43.05 98.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 110.014 -0.365 . . . . 1.0 110.014 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.414 ' CE1' HG21 ' A' ' 50' ' ' ILE . 35.0 m-70 -67.49 -37.83 83.42 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 121.999 -0.438 . . . . 1.0 110.347 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 85.0 p -62.57 153.27 32.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.265 0.555 . . . . 1.0 110.325 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 151.81 1.99 0.22 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.904 -0.878 . . . . 1.0 110.904 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -163.82 170.59 16.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.878 0.371 . . . . 1.0 110.636 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp 53.98 73.05 0.97 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 120.767 0.318 . . . . 1.0 110.458 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -53.27 -38.4 81.78 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.817 2.344 . . . . 1.0 112.58 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.948 -1.025 . . . . 1.0 110.39 -179.665 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.533 ' N ' ' SD ' ' A' ' 11' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.435 -0.58 . . . . 1.0 109.435 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 65.1 p -70.76 138.64 50.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 1.0 110.207 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.6 p-80 -72.49 -17.07 61.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.997 0.427 . . . . 1.0 110.643 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 65.3 m -58.45 -37.73 76.06 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.949 -0.469 . . . . 1.0 111.757 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -69.75 -43.65 71.81 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 121.91 -0.494 . . . . 1.0 110.911 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -132.25 70.69 80.05 Favored Pre-proline 0 N--CA 1.469 0.518 0 C-N-CA 123.462 0.705 . . . . 1.0 110.054 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -79.11 -15.17 13.07 Favored 'Trans proline' 0 C--N 1.304 -1.794 0 C-N-CA 122.24 1.96 . . . . 1.0 112.085 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.437 ' O ' ' O ' ' A' ' 27' ' ' PHE . 78.7 m-85 -109.75 113.06 25.5 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.246 0.546 . . . . 1.0 110.745 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -140.65 144.06 35.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.655 0.741 . . . . 1.0 109.783 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.408 ' N ' HD21 ' A' ' 33' ' ' LEU . 11.2 t -72.78 111.99 8.42 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 121.296 0.57 . . . . 1.0 110.943 -178.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -64.52 -18.78 65.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.747 0.784 . . . . 1.0 110.079 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -66.55 -35.58 80.58 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 121.687 -0.633 . . . . 1.0 110.405 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.8 p -135.84 -168.97 2.31 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.43 0.633 . . . . 1.0 109.899 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -89.37 -3.07 58.6 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.788 -0.57 . . . . 1.0 111.628 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.96 156.52 3.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.816 0.817 . . . . 1.0 111.572 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.9 p -134.85 154.33 51.69 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 121.862 -0.523 . . . . 1.0 110.786 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.437 ' O ' ' O ' ' A' ' 18' ' ' TYR . 95.6 m-85 -150.43 147.96 28.18 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 121.419 0.628 . . . . 1.0 111.554 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -95.97 -1.14 49.67 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.893 -0.594 . . . . 1.0 111.192 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -134.85 135.3 41.58 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.02 0.438 . . . . 1.0 111.091 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -66.88 -34.31 77.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.512 -0.313 . . . . 1.0 110.925 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.36 -35.81 91.91 Favored Glycine 0 CA--C 1.52 0.352 0 N-CA-C 110.461 -1.056 . . . . 1.0 110.461 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -63.49 -40.6 97.51 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.039 -0.726 . . . . 1.0 109.039 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.486 ' O ' HD13 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -62.63 -41.72 99.18 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.662 -0.495 . . . . 1.0 109.662 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.93 -39.1 88.15 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 109.153 -0.684 . . . . 1.0 109.153 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.9 t -67.15 -45.59 76.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.238 0.542 . . . . 1.0 109.942 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 59.8 t60 -67.56 -41.12 84.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.96 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.7 ttpp -52.75 -21.16 3.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.151 0.5 . . . . 1.0 111.241 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 80.3 p -62.79 -30.03 71.15 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 121.5 -0.75 . . . . 1.0 110.726 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 62.6 t -61.37 -45.57 98.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 123.114 0.566 . . . . 1.0 112.147 -179.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -66.8 -40.08 87.98 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.889 -0.507 . . . . 1.0 111.918 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.9 p -65.3 137.97 57.89 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 121.747 -0.596 . . . . 1.0 111.207 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -175.38 -168.27 35.63 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.074 -0.81 . . . . 1.0 111.074 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.0 160.47 20.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.116 0.484 . . . . 1.0 110.176 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.7 pttp 36.82 72.08 0.86 Allowed Pre-proline 0 N--CA 1.477 0.896 0 O-C-N 121.913 -0.492 . . . . 1.0 110.907 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -50.53 -50.07 14.72 Favored 'Trans proline' 0 C--N 1.304 -1.815 0 C-N-CA 122.925 2.417 . . . . 1.0 113.223 -178.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -137.23 140.87 41.97 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.371 0.605 . . . . 1.0 110.801 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -138.56 144.59 39.93 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.974 -0.557 . . . . 1.0 109.795 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 19.7 t -81.17 113.95 19.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.605 0.717 . . . . 1.0 110.951 -179.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -63.93 -37.24 86.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.728 -0.669 . . . . 1.0 110.654 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.678 ' H ' HD12 ' A' ' 50' ' ' ILE . 3.1 mp -63.76 -43.81 98.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.057 0.456 . . . . 1.0 110.846 -178.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 59.3 m -109.21 -71.93 0.74 Allowed 'General case' 0 N--CA 1.474 0.745 0 O-C-N 122.038 -0.414 . . . . 1.0 110.641 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.463 ' O ' ' NE2' ' A' ' 54' ' ' GLN . . . 140.08 8.2 0.9 Allowed Glycine 0 CA--C 1.529 0.944 0 N-CA-C 112.051 -0.42 . . . . 1.0 112.051 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.13 139.87 54.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 117.932 0.866 . . . . 1.0 111.52 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.463 ' NE2' ' O ' ' A' ' 52' ' ' GLY . 17.2 mp0 -93.98 145.53 24.58 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.233 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -131.97 148.87 52.54 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 122.157 0.98 . . . . 1.0 111.72 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -94.46 -14.63 25.0 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.632 0.73 . . . . 1.0 110.102 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 64.3 mtp85 -146.26 146.81 29.16 Favored Pre-proline 0 N--CA 1.472 0.663 0 O-C-N 121.993 -0.442 . . . . 1.0 110.643 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -68.31 -26.65 35.2 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 121.711 1.608 . . . . 1.0 111.994 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.73 -42.23 96.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.929 0.395 . . . . 1.0 110.115 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -64.37 -40.89 96.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.17 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 64' ' ' HIS . 1.6 tt -65.2 -45.88 82.96 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.917 -0.771 . . . . 1.0 108.917 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -48.55 -40.39 26.9 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.225 -0.657 . . . . 1.0 109.225 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 16.4 m -65.57 -34.53 78.46 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.497 -0.557 . . . . 1.0 109.497 178.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 61' ' ' LEU . 86.4 t60 -75.09 -37.2 61.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.39 0.614 . . . . 1.0 109.685 179.184 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 80.3 p -61.15 -32.77 72.48 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.278 -0.638 . . . . 1.0 109.278 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -34.34 72.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.622 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 66.6 mt -62.38 -43.24 97.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.722 0.296 . . . . 1.0 110.238 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.456 ' CE1' HG21 ' A' ' 50' ' ' ILE . 76.1 m-70 -66.36 -38.4 87.51 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 122.079 -0.388 . . . . 1.0 110.23 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 59.0 m -72.12 50.86 0.22 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.098 0.475 . . . . 1.0 110.524 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -164.89 88.3 0.1 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.998 -0.841 . . . . 1.0 110.998 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -170.66 34.02 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.145 0.497 . . . . 1.0 110.47 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.415 ' N ' ' CD ' ' A' ' 73' ' ' PRO . 57.7 mttp -141.07 53.63 3.8 Favored Pre-proline 0 N--CA 1.466 0.372 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.034 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.415 ' CD ' ' N ' ' A' ' 72' ' ' LYS . 45.8 Cg_endo -65.64 147.81 86.52 Favored 'Trans proline' 0 N--CA 1.5 1.858 0 C-N-CA 122.583 2.189 . . . . 1.0 112.522 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 118.067 -0.968 . . . . 1.0 110.498 179.853 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_